5j7a

Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography

Method: X-RAY DIFFRACTION Dmax: 63.4 Å Quality: REASONABLE

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

Bacteriorhodopsin

Halobacterium salinarum (strain ATCC 700922 / JCM 11081 / NRC-1)

UniProt P02945

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 18–244 Not recorded RET RETINAL × 3 LI1 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL × 15 X-RAY DIFFRACTION X-ray crystallization conditions:LIPIDIC CUBIC PHASE;pH 5.6;293 K;Precipitant: 29%-38% PEG 2000, 100 mM phosphate buffer pH 5.6. MAG 9.9 used for LCP formation. Crystallization setup in Hamilton syringe with tube of LCP surrounded by precipitant. Resolution 2.30 Å R-free 0.218

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.

173 other PDB entries and 201 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name BACR_HALSA
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–227; UniProt 18–244

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.

SAXS scattering curve SAXS Profile

SAXS profile for 5j7a

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5j7a
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5j7a
Deposition date deposition_date2016-04-06
Structure title titleBacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
Keywords keywordslight-driven proton pump, retinal binding, seven transmembrane helix protein, proton transport; PROTON TRANSPORT
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier19.00
Radius of gyration Rg (electron density) rg_electron17.98
Forward intensity I(0) i08043680.00
Molecular weight molecular_weight25312.0 kDa
Excluded volume excluded_volume33576 ų
Envelope volume envelope_volume36737 ų
Hydration-shell volume shell_volume17285 ų
Envelope diameter envelope_diameter62.3
Shell Rg shell_rg24.01
Envelope Rg envelope_rg18.38
Shape Rg shape_rg17.96
Total Rg total_rg19.13
Total atoms total_atoms1792
Residues n_residues224
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

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

Maximum dimension Dmax dmax63.4
Rg (real space) rg_real19.01
Rg uncertainty (real space) rg_real_error0.45
I(0) (real space) i0_real8.0440e+06
I(0) uncertainty (real space) i0_real_error1.0900e+05
Rg (reciprocal space) rg_reciprocal19.01
I(0) (reciprocal space) i0_reciprocal8044000.0000
Solution quality estimate total_estimate0.7001
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary21.1
Skewness Skewness skewness0.368
Kurtosis Kurtosis kurtosis-0.340
Angular range angular_range— – 0.4200 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1803000.0000
Real-space data points n_real_points73
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.830; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.959; Smooth: 0.922

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd5j7aa_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.13 — Class A G protein-coupled receptor (GPCR)-like
Superfamily Superfamily superfamilyf.13.1 — Class A G protein-coupled receptor (GPCR)-like
Family Family familyf.13.1.1 — Bacteriorhodopsin-like

CATH v4.4 (1 domains)

Domain ID domain_id5j7aA00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1070 — Rhopdopsin 7-helix transmembrane proteins
Homologous superfamily homologous superfamily10 — Rhodopsin 7-helix transmembrane proteins

8. Citations (2)

9. Files and Curves (10)