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1cwq

M INTERMEDIATE STRUCTURE OF THE WILD TYPE BACTERIORHODOPSIN IN COMBINATION WITH THE GROUND STATE STRUCTURE

Method: X-RAY DIFFRACTION D_max: 65.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cwq
deposition_date	1999-08-26
title	M INTERMEDIATE STRUCTURE OF THE WILD TYPE BACTERIORHODOPSIN IN COMBINATION WITH THE GROUND STATE STRUCTURE
keywords	PHOTO CYCLE INTERMEDIATE, 7-HELICAL MEMBRANE PROTEIN, PROTON TRANSPORT, RETINAL PROTEIN, ION TRANSPORT; ION 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	19.85 Å
rg_electron	18.79 Å
i0	8986390.00
molecular_weight	27788.0 kDa
excluded_volume	37273 Å³
envelope_volume	41839 Å³
shell_volume	18732 Å³
envelope_diameter	66.5 Å
shell_rg	24.90 Å
envelope_rg	19.27 Å
shape_rg	18.77 Å
total_rg	19.99 Å
total_atoms	1965
n_residues	238
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	65.6 Å
rg_real	19.93 Å
rg_real_error	0.50 Å
i0_real	8.9860e+06
i0_real_error	1.1460e+05
rg_reciprocal	19.92 Å
i0_reciprocal	8986000.0000
total_estimate	0.7987
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.3 Å
skewness	0.429
kurtosis	-0.323
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	1977000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.827; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.901; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	;BACTERIORHODOPSIN ("M" STATE INTERMEDIATE IN COMBINATION WITH GROUND STATE) ;
formula_weight	26888.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4230

MQAQITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAEAPEPSADGAAATS

Source

organism	Halobacterium salinarum
ncbi_taxonomy_id	2242
host_organism	Halobacterium salinarum

Entity 2 non-polymer

description	RETINAL
formula_weight	284.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	UNDECANE
formula_weight	156.3 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	N-OCTANE
formula_weight	114.2 kDa
src_method	syn
entity_count	16

Entity 5 non-polymer

description	HEXANE
formula_weight	86.2 kDa
src_method	syn
entity_count	12

Entity 6 non-polymer

description	TRIDECANE
formula_weight	184.4 kDa
src_method	syn
entity_count	6

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	154

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6. Citations (1)

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length_a	61.080 Å
length_b	61.080 Å
length_c	110.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 63
int_tables_number	173
crystal_system	—

resolution	2.250 Å
resolution_low	13.000 Å
r_factor	0.1670
r_work	0.1670
r_free	0.2360

fit	/app/data/saxs_computation/cw/1cwq/1cwq.fit
pddf	/app/data/pr_computation/cw/1cwq/1cwq.pr.out
profile	/app/data/saxs_computation/cw/1cwq/1cwq.dat