4fe1

Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution

Method: X-RAY DIFFRACTION

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Photosystem I P700 chlorophyll a apoprotein A1

OrganismNot specified

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAA_THEEB
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–755； UniProt 1–755

Photosystem I P700 chlorophyll a apoprotein A2

OrganismNot specified

UniProt P0A407

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAB_THEEB
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–740； UniProt 2–741

Photosystem I iron-sulfur center

OrganismNot specified

UniProt P0A415

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAC_THEEB
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 1–80； UniProt 2–81

Photosystem I reaction center subunit II

OrganismNot specified

UniProt P0A420

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAD_THEEB
Isoform	—
PDB entities	4
Chains and sequence ranges	Author chain D； PDBConstruct 1–138； UniProt 2–139

Photosystem I reaction center subunit IV

OrganismNot specified

UniProt P0A423

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAE_THEEB
Isoform	—
PDB entities	5
Chains and sequence ranges	Author chain E； PDBConstruct 1–75； UniProt 2–76

Photosystem I reaction center subunit III

OrganismNot specified

UniProt P0A401

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAF_THEEB
Isoform	—
PDB entities	6
Chains and sequence ranges	Author chain F； PDBConstruct 1–164； UniProt 1–164

Photosystem I reaction center subunit VIII

OrganismNot specified

UniProt P0A427

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAI_THEEB
Isoform	—
PDB entities	7
Chains and sequence ranges	Author chain I； PDBConstruct 1–38； UniProt 1–38

Photosystem I reaction center subunit IX

OrganismNot specified

UniProt P0A429

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAJ_THEEB
Isoform	—
PDB entities	8
Chains and sequence ranges	Author chain J； PDBConstruct 1–41； UniProt 1–41

Photosystem I reaction center subunit PsaK

OrganismNot specified

UniProt P0A425

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAK_THEEB
Isoform	—
PDB entities	9
Chains and sequence ranges	Author chain K； PDBConstruct 1–83； UniProt 1–83

Photosystem I reaction center subunit XI

OrganismNot specified

UniProt Q8DGB4

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XII × 3 （P0A403） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAL_THEEB
Isoform	—
PDB entities	10
Chains and sequence ranges	Author chain L； PDBConstruct 1–154； UniProt 2–155

Photosystem I reaction center subunit XII

OrganismNot specified

UniProt P0A403

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I 4.8K protein × 3 （Q8DKP6） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PSAM_THEEB
Isoform	—
PDB entities	11
Chains and sequence ranges	Author chain M； PDBConstruct 1–31； UniProt 1–31

Photosystem I 4.8K protein

OrganismNot specified

UniProt Q8DKP6

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 36	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit PsaK × 3 （P0A425） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 33	Photosystem I P700 chlorophyll a apoprotein A1 × 3 （P0A405） Photosystem I P700 chlorophyll a apoprotein A2 × 3 （P0A407） Photosystem I iron-sulfur center × 3 （P0A415） Photosystem I reaction center subunit II × 3 （P0A420） Photosystem I reaction center subunit IV × 3 （P0A423） Photosystem I reaction center subunit III × 3 （P0A401） Photosystem I reaction center subunit VIII × 3 （P0A427） Photosystem I reaction center subunit IX × 3 （P0A429） Photosystem I reaction center subunit XI × 3 （Q8DGB4） Photosystem I reaction center subunit XII × 3 （P0A403） CHLOROPHYLL A × 288 PHYLLOQUINONE × 6 BETA-CAROTENE × 66 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE × 9 IRON/SULFUR CLUSTER × 9 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE × 3 CALCIUM ION × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q8DKP6_THEEB
Isoform	—
PDB entities	12
Chains and sequence ranges	Author chain X； PDBConstruct 1–31； UniProt 5–35

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	4fe1
Deposition date deposition_date	2012-05-29
Structure title title	Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
Keywords keywords	;photosystem, photosynthesis, membrane protein, chlorophyll, chromophore, electron transport, metal-binding, photosystem I, thylakoid, transmembrane, electron transfer, membrane, thylakoidmembrane ;; PHOTOSYNTHESIS
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

4fe1__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

4fe1__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4fe1__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	68.91 Å
Rg (electron density)	68.12 Å
Total Rg	68.03 Å
Atom count	71991
Residues	6729
Excluded volume	1342000 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4fe1__assembly_1__model_1`	36-meric （36）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`4fe1__assembly_2__model_1`	33-meric （33）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (19)

Entity 1 Entity 1 polymer

Description description	Photosystem I P700 chlorophyll a apoprotein A1
Molecular weight formula_weight	83267.8 kDa
EC 编号 ec_number	1.97.1.12
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	23997

MTISPPEREPKVRVVVDNDPVPTSFEKWAKPGHFDRTLARGPQTTTWIWNLHALAHDFDTHTSDLEDISRKIFSAHFGHLAVVFIWLSGMYFHGAKFSNYEAWLADPTGIKPSAQVVWPIVGQGILNGDVGGGFHGIQITSGLFQLWRASGITNEFQLYCTAIGGLVMAGLMLFAGWFHYHKRAPKLEWFQNVESMLNHHLAGLLGLGSLAWAGHQIHVSLPINKLLDAGVAAKDIPLPHEFILNPSLMAELYPKVDWGFFSGVIPFFTFNWAAYSDFLTFNGGLNPVTGGLWLSDTAHHHLAIAVLFIIAGHMYRTNWGIGHSLKEILEAHKGPFTGAGHKGLYEVLTTSWHAQLAINLAMMGSLSIIVAQHMYAMPPYPYLATDYPTQLSLFTHHMWIGGFLVVGGAAHGAIFMVRDYDPAMNQNNVLDRVLRHRDAIISHLNWVCIFLGFHSFGLYVHNDTMRAFGRPQDMFSDTGIQLQPVFAQWVQNLHTLAPGGTAPNAAATASVAFGGDVVAVGGKVAMMPIVLGTADFMVHHIHAFTIHVTVLILLKGVLFARSSRLIPDKANLGFRFPCDGPGRGGTCQVSGWDHVFLGLFWMYNCISVVIFHFSWKMQSDVWGTVAPDGTVSHITGGNFAQSAITINGWLRDFLWAQASQVIGSYGSALSAYGLLFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHNKLKVAPAIQPRALSIIQGRAVGVAHYLLGGIATTWAFFLARIISVG

Entity 2 Entity 2 polymer

Description description	Photosystem I P700 chlorophyll a apoprotein A2
Molecular weight formula_weight	82992.5 kDa
EC 编号 ec_number	1.97.1.12
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

ATKFPKFSQDLAQDPTTRRIWYAIAMAHDFESHDGMTEENLYQKIFASHFGHLAIIFLWVSGSLFHVAWQGNFEQWVQDPVNTRPIAHAIWDPQFGKAAVDAFTQAGASNPVDIAYSGVYHWWYTIGMRTNGDLYQGAIFLLILASLALFAGWLHLQPKFRPSLSWFKNAESRLNHHLAGLFGVSSLAWAGHLIHVAIPESRGQHVGWDNFLSTMPHPAGLAPFFTGNWGVYAQNPDTASHVFGTAQGAGTAILTFLGGFHPQTESLWLTDMAHHHLAIAVLFIVAGHMYRTQFGIGHSIKEMMDAKDFFGTKVEGPFNMPHQGIYETYNNSLHFQLGWHLACLGVITSLVAQHMYSLPPYAFIAQDHTTMAALYTHHQYIAGFLMVGAFAHGAIFLVRDYDPAQNKGNVLDRVLQHKEAIISHLSWVSLFLGFHTLGLYVHNDVVVAFGTPEKQILIEPVFAQFIQAAHGKLLYGFDTLLSNPDSIASTAWPNYGNVWLPGWLDAINSGTNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKKDFGYAFPCDGPGRGGTCDISAWDAFYLAMFWMLNTIGWVTFYWHWKHLGVWEGNVAQFNESSTYLMGWLRDYLWLNSSQLINGYNPFGTNNLSVWAWMFLFGHLVWATGFMFLISWRGYWQELIETLVWAHERTPLANLVRWKDKPVALSIVQARLVGLAHFSVGYILTYAAFLIASTAAKFG

Entity 3 Entity 3 polymer

Description description	Photosystem I iron-sulfur center
Molecular weight formula_weight	8678.0 kDa
EC 编号 ec_number	1.97.1.12
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C

AHTVKIYDTCIGCTQCVRACPTDVLEMVPWDGCKAGQIASSPRTEDCVGCKRCETACPTDFLSIRVYLGAETTRSMGLAY

Entity 4 Entity 4 polymer

Description description	Photosystem I reaction center subunit II
Molecular weight formula_weight	15258.3 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	D

TTLTGQPPLYGGSTGGLLSAADTEEKYAITWTSPKEQVFEMPTAGAAVMREGENLVYFARKEQCLALAAQQLRPRKINDYKIYRIFPDGETVLIHPKDGVFPEKVNKGREAVNSVPRSIGQNPNPSQLKFTGKKPYDP

Entity 5 Entity 5 polymer

Description description	Photosystem I reaction center subunit IV
Molecular weight formula_weight	8268.3 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	E

VQRGSKVKILRPESYWYNEVGTVASVDQTPGVKYPVIVRFDKVNYTGYSGSASGVNTNNFALHEVQEVAPPKKGK

Entity 6 Entity 6 polymer

Description description	Photosystem I reaction center subunit III
Molecular weight formula_weight	17716.6 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	F

MRRFLALLLVLTLWLGFTPLASADVAGLVPCKDSPAFQKRAAAAVNTTADPASGQKRFERYSQALCGEDGLPHLVVDGRLSRAGDFLIPSVLFLYIAGWIGWVGRAYLIAVRNSGEANEKEIIIDVPLAIKCMLTGFAWPLAALKELASGELTAKDNEITVSPR

Entity 7 Entity 7 polymer

Description description	Photosystem I reaction center subunit VIII
Molecular weight formula_weight	4297.2 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	I

MMGSYAASFLPWIFIPVVCWLMPTVVMGLLFLYIEGEA

Entity 8 Entity 8 polymer

Description description	Photosystem I reaction center subunit IX
Molecular weight formula_weight	4770.7 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	J

MKHFLTYLSTAPVLAAIWMTITAGILIEFNRFYPDLLFHPL

Entity 9 Entity 9 polymer

Description description	Photosystem I reaction center subunit PsaK
Molecular weight formula_weight	8484.0 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	K

MVLATLPDTTWTPSVGLVVILCNLFAIALGRYAIQSRGKGPGLPIALPALFEGFGLPELLATTSFGHLLAAGVVSGLQYAGAL

Entity 10 Entity 10 polymer

Description description	Photosystem I reaction center subunit XI
Molecular weight formula_weight	16156.6 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	L

AEELVKPYNGDPFVGHLSTPISDSGLVKTFIGNLPAYRQGLSPILRGLEVGMAHGYFLIGPWVKLGPLRDSDVANLGGLISGIALILVATACLAAYGLVSFQKGGSSSDPLKTSEGWSQFTAGFFVGAMGSAFVAFFLLENFLVVDGIMTGLFN

Entity 11 Entity 11 polymer

Description description	Photosystem I reaction center subunit XII
Molecular weight formula_weight	3426.1 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	M

MALTDTQVYVALVIALLPAVLAFRLSTELYK

Entity 12 Entity 12 polymer

Description description	Photosystem I 4.8K protein
Molecular weight formula_weight	3845.5 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	X

ATKSAKPTYAFRTFWAVLLLAINFLVAAYYFAAAA

Entity 13 Entity 13 non-polymer

Description description	CHLOROPHYLL A
Molecular weight formula_weight	893.5 kDa
Source method src_method	syn
Copy count entity_count	96

Entity 14 Entity 14 non-polymer

Description description	PHYLLOQUINONE
Molecular weight formula_weight	450.7 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 15 Entity 15 non-polymer

Description description	BETA-CAROTENE
Molecular weight formula_weight	536.9 kDa
Source method src_method	syn
Copy count entity_count	22

Entity 16 Entity 16 non-polymer

Description description	1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE
Molecular weight formula_weight	723.0 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 17 Entity 17 non-polymer

Description description	IRON/SULFUR CLUSTER
Molecular weight formula_weight	351.6 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 18 Entity 18 non-polymer

Description description	1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE
Molecular weight formula_weight	787.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 19 Entity 19 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	1

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Unit-cell length a length_a	281.000 Å
Unit-cell length b length_b	281.000 Å
Unit-cell length c length_c	165.200 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	6

Space group space_group	P 63
Space-group number int_tables_number	173
Crystal system crystal_system	—

Resolution resolution	4.923 Å
Low-resolution limit resolution_low	97.971 Å
R factor r_factor	0.2762
R_work r_work	0.2744
R_free r_free	0.3145

Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution

1. Protein Identity and Related Structures Protein Identity & Related Structures

Photosystem I P700 chlorophyll a apoprotein A1

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I P700 chlorophyll a apoprotein A2

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I iron-sulfur center

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I reaction center subunit II

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I reaction center subunit IV

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I reaction center subunit III

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I reaction center subunit VIII

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I reaction center subunit IX

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I reaction center subunit PsaK

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Photosystem I reaction center subunit XI

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer