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1brr

X-RAY STRUCTURE OF THE BACTERIORHODOPSIN TRIMER/LIPID COMPLEX

Method: X-RAY DIFFRACTION D_max: 81.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1brr
deposition_date	1998-07-28
title	X-RAY STRUCTURE OF THE BACTERIORHODOPSIN TRIMER/LIPID COMPLEX
keywords	PROTON PUMP, MEMBRANE PROTEIN, RETINAL PROTEIN, LIPIDS, PHOTORECEPTOR, HALOARCHAEA, PROTON TRANSPORT; PROTON TRANSPORT
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	26.37 Å
rg_electron	24.65 Å
i0	71133100.00
molecular_weight	80285.0 kDa
excluded_volume	106470 Å³
envelope_volume	116910 Å³
shell_volume	37335 Å³
envelope_diameter	75.1 Å
shell_rg	33.65 Å
envelope_rg	24.62 Å
shape_rg	24.65 Å
total_rg	25.70 Å
total_atoms	5672
n_residues	692
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	81.9 Å
rg_real	26.10 Å
rg_real_error	0.51 Å
i0_real	7.1130e+07
i0_real_error	1.0020e+06
rg_reciprocal	26.19 Å
i0_reciprocal	71140000.0000
total_estimate	0.7923
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.2 Å
skewness	-0.092
kurtosis	-0.548
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	28650000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.780; Stabil: 0.995; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	PROTEIN (BACTERIORHODOPSIN)
formula_weight	26740.3 kDa
src_method	nat
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	5672

QAQITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAEAPEPSADGAAATS

Entity 2 branched

description	3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose
formula_weight	584.5 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	RETINAL
formula_weight	284.4 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL
formula_weight	298.5 kDa
src_method	syn
entity_count	10

Entity 5 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	3

Entity 6 non-polymer

description	beta-D-glucopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	1

Entity 7 non-polymer

description	N-OCTANE
formula_weight	114.2 kDa
src_method	syn
entity_count	1

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6. Citations (2)

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length_a	120.520 Å
length_b	105.960 Å
length_c	80.190 Å
angle_alpha	90.00 °
angle_beta	94.94 °
angle_gamma	90.00 °
z_pdb	12

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.900 Å
resolution_low	10.000 Å
r_factor	0.2560
r_work	0.2560
r_free	0.2990

fit	/app/data/saxs_computation/br/1brr/1brr.fit
pddf	/app/data/pr_computation/br/1brr/1brr.pr.out
profile	/app/data/saxs_computation/br/1brr/1brr.dat