SAXSdb — 8eq8

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

14-3-3 protein beta/alpha

Homo sapiens

UniProt P31946

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–239 Chain B； UniProt 1–239	Non-standard monomer：Yes (specific site not provided by mmCIF)	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；293 K；20%-30% PEG 550 MME, 50 mM MgCl2, 100 mM HEPES pH 7-8.3	Resolution 1.50 Å R-free 0.205

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 8EQ8	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2BQ0 14-3-3 Protein Beta (Human) Deposited 2005-04-26	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–238（238 aa） Chain B 1–238（238 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.05M MGCL2,0.1M HEPES PH7.5, 30% PEG MME 550, pH 8.00	Resolution 2.50 Å R-free 0.273
2BQ0 14-3-3 Protein Beta (Human) Deposited 2005-04-26	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–238（238 aa） Chain B 1–238（238 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.05M MGCL2,0.1M HEPES PH7.5, 30% PEG MME 550, pH 8.00	Resolution 2.50 Å R-free 0.273
2C23 14-3-3 Protein Beta (Human) in complex with exoenzyme S peptide Deposited 2005-09-26	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–238（238 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.05M MGCL2,0.1M HEPES PH7.5, 30% PEG MME 550, pH 8.00	Resolution 2.65 Å R-free 0.286
4DNK Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, beta polypeptide (YWHAB) from homo sapiens at 2.20 A resolution. Deposited 2012-02-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–246（246 aa） Chain B 1–246（246 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 3 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；20.00% polyethylene glycol 3350, 0.20M magnesium acetate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.226
5N10 Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform Deposited 2017-02-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–246（246 aa） Chain B 1–246（246 aa）	Not recorded	GOL GLYCEROL × 1 C8L Cucurbit[8]uril × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；PEG 1500, sodium citrate	Resolution 1.60 Å R-free 0.194
6A5Q Structure of 14-3-3 beta in complex with TFEB 14-3-3 binding motif Deposited 2018-06-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–246（246 aa） Chain B 1–246（246 aa）	Not recorded	MLA MALONIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 4；289 K；0.1 M sodium malonate, and 12% (w/v) PEG 3350	Resolution 2.00 Å R-free 0.230
6A5Q Structure of 14-3-3 beta in complex with TFEB 14-3-3 binding motif Deposited 2018-06-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–246（246 aa）	Not recorded	MLA MALONIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 4；289 K；0.1 M sodium malonate, and 12% (w/v) PEG 3350	Resolution 2.00 Å R-free 0.230
6BYK Structure of 14-3-3 beta/alpha bound to O-ClcNAc peptide Deposited 2017-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 3–232（230 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 4000, 200 mM sodium acetate, 0.1 M Tris pH 8.5	Resolution 3.00 Å R-free 0.268
6BYK Structure of 14-3-3 beta/alpha bound to O-ClcNAc peptide Deposited 2017-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 3–232（230 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 4000, 200 mM sodium acetate, 0.1 M Tris pH 8.5	Resolution 3.00 Å R-free 0.268
6BYK Structure of 14-3-3 beta/alpha bound to O-ClcNAc peptide Deposited 2017-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 3–232（230 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 4000, 200 mM sodium acetate, 0.1 M Tris pH 8.5	Resolution 3.00 Å R-free 0.268
6BYK Structure of 14-3-3 beta/alpha bound to O-ClcNAc peptide Deposited 2017-12-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 3–232（230 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 4000, 200 mM sodium acetate, 0.1 M Tris pH 8.5	Resolution 3.00 Å R-free 0.268
6GN0 Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form Deposited 2018-05-29	Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–239（239 aa） Chain B 1–239（239 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；12% PEG 3350, 4% Tacsimate	Resolution 3.24 Å R-free 0.294
6GN0 Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form Deposited 2018-05-29	Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–239（239 aa） Chain D 1–239（239 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；12% PEG 3350, 4% Tacsimate	Resolution 3.24 Å R-free 0.294
6GN8 Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form Deposited 2018-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–234（234 aa） Chain B 1–234（234 aa）	Not recorded	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；40% MPD, 8% PEG 8000, 0.1M Sodium Cacodylate	Resolution 2.34 Å R-free 0.248
6GNJ Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form in complex with STO1101 Deposited 2018-05-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–234（234 aa） Chain B 1–234（234 aa）	Not recorded	F4W 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；40% MPD, 7% PEG 8000, 0.1M Sodium Cacodylate	Resolution 3.24 Å R-free 0.221
6GNK Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD Deposited 2018-05-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–234（234 aa） Chain B 1–234（234 aa）	Not recorded	CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；50% MPD, 8% PEG 8000, 0.1M Sodium Cacodylate	Resolution 2.55 Å R-free 0.239
6GNN Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101 Deposited 2018-05-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–239（239 aa）	Not recorded	F4W 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；12% PEG 6000, 0.1M Citrate	Resolution 3.79 Å R-free 0.385
6HEP Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768 Deposited 2018-08-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–232（232 aa） Chain B 1–232（232 aa）	Not recorded	ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；278 K；0.1M Tris, 25% v/v PEG350 MME	Resolution 1.86 Å R-free 0.251
6HEP Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768 Deposited 2018-08-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 1–232（232 aa） Chain D 1–232（232 aa）	Not recorded	ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；278 K；0.1M Tris, 25% v/v PEG350 MME	Resolution 1.86 Å R-free 0.251
6YGJ small-molecule stabilizer of 14-3-3 and the Carbohydrate Response Element Binding Protein (ChREBP) protein-protein interaction Deposited 2020-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 4–232（229 aa） Chain F 2–232（231 aa）	Not recorded	OQE [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.1M HEPES (pH 7.1), 30% MPD, 1% PEG 4000, 0.1 M Ni(II)Cl 6H2O	Resolution 2.07 Å R-free 0.277
8DP5 Structure of the PEAK3/14-3-3 complex Deposited 2022-07-14	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain C 1–246（246 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5；A final concentration of 0.1% of Octyl-beta-Glucoside (C14H28O6) was added to the sample before freezing. cryo-EM vitrification conditions Cryogen ETHANE；blot time = 7s blot force = 4	Resolution 3.10 Å
8EQH The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y213 Deposited 2022-10-07	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–239（239 aa） Chain B 1–239（239 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20%-27% PEG 3350, +/- 50 mM MgCl2, 100 mM Bis-Tris pH 5.5-6.5	Resolution 1.90 Å R-free 0.218
9GCP ChREBP/14-3-3 complex stabilized by AMP Deposited 2024-08-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 3–232（230 aa） Chain E 3–232（230 aa）	Not recorded	AMP ADENOSINE MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM MES ph 6.0 2.2M Sodium Malonate	Resolution 2.59 Å R-free 0.271
9GCP ChREBP/14-3-3 complex stabilized by AMP Deposited 2024-08-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 3–232（230 aa） Chain G 3–232（230 aa）	Not recorded	AMP ADENOSINE MONOPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM MES ph 6.0 2.2M Sodium Malonate	Resolution 2.59 Å R-free 0.271

16 other PDB entries and 24 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	1433B_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–239； UniProt 1–239 Author chain B； PDBConstruct 1–239； UniProt 1–239

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	8eq8
Deposition date deposition_date	2022-10-07
Structure title title	The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y130
Keywords keywords	PROTEIN BINDING; PROTEIN BINDING
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	29.14 Å
Radius of gyration Rg (electron density) rg_electron	28.47 Å
Forward intensity I(0) i0	45633800.00
Molecular weight molecular_weight	51657.0 kDa
Excluded volume excluded_volume	64300 Å³
Envelope volume envelope_volume	87422 Å³
Hydration-shell volume shell_volume	26389 Å³
Envelope diameter envelope_diameter	93.0 Å
Shell Rg shell_rg	34.78 Å
Envelope Rg envelope_rg	27.88 Å
Shape Rg shape_rg	28.48 Å
Total Rg total_rg	29.12 Å
Total atoms total_atoms	3630
Residues n_residues	459
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	92.6 Å
Rg (real space) rg_real	29.18 Å
Rg uncertainty (real space) rg_real_error	0.81 Å
I(0) (real space) i0_real	4.5630e+07
I(0) uncertainty (real space) i0_real_error	7.3200e+05
Rg (reciprocal space) rg_reciprocal	29.17 Å
I(0) (reciprocal space) i0_reciprocal	45630000.0000
Solution quality estimate total_estimate	0.9043
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	32.6 Å
Skewness Skewness skewness	0.269
Kurtosis Kurtosis kurtosis	-0.680
Angular range angular_range	— – 0.2700 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	4159000.0000
Real-space data points n_real_points	55
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.949; Smooth: 0.950

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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8. Citations (1)

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Unit-cell length a length_a	52.400 Å
Unit-cell length b length_b	124.510 Å
Unit-cell length c length_c	55.230 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	114.50 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	monoclinic

Resolution resolution	1.500 Å
Low-resolution limit resolution_low	29.090 Å
R factor r_factor	0.1799
R_work r_work	0.1785
R_free r_free	0.2049

Description description	14-3-3 protein beta/alpha
Molecular weight formula_weight	28281.6 kDa
Source method src_method	man
Copy count entity_count	2

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,A
Atom count atom_count	4069

The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y130

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

14-3-3 protein beta/alpha

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 water

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	399

fit	/app/data/saxs_computation/eq/8eq8/8eq8.fit
pddf	/app/data/pr_computation/eq/8eq8/8eq8.pr.out
profile	/app/data/saxs_computation/eq/8eq8/8eq8.dat