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1c8s

BACTERIORHODOPSIN D96N LATE M STATE INTERMEDIATE

Method: X-RAY DIFFRACTION D_max: 65.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c8s
deposition_date	1999-07-29
title	BACTERIORHODOPSIN D96N LATE M STATE INTERMEDIATE
keywords	;ION PUMP, MEMBRANE PROTEIN, RETINAL PROTEIN, LIPIDS, PHOTORECEPTOR, HALOARCHAEA, D96N M INTERMEDIATE, ION TRANSPORT, MEROHEDRAL TWINNING ;; 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	18.10 Å
rg_electron	17.58 Å
i0	5848870.00
molecular_weight	25499.0 kDa
excluded_volume	35465 Å³
envelope_volume	37945 Å³
shell_volume	17897 Å³
envelope_diameter	63.5 Å
shell_rg	23.95 Å
envelope_rg	18.14 Å
shape_rg	17.55 Å
total_rg	19.19 Å
total_atoms	1807
n_residues	196
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	65.8 Å
rg_real	18.14 Å
rg_real_error	0.65 Å
i0_real	5.8490e+06
i0_real_error	7.5490e+04
rg_reciprocal	18.13 Å
i0_reciprocal	5849000.0000
total_estimate	0.8347
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.6 Å
skewness	0.392
kurtosis	-0.226
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	1021000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.667; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.888; Smooth: 0.964

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	;BACTERIORHODOPSIN ("M" STATE INTERMEDIATE) ;
formula_weight	21369.3 kDa
mutation	D96N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1821

TGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLNLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLI

Source

organism	Halobacterium salinarum
ncbi_taxonomy_id	2242
host_organism	Halobacterium salinarum

Entity 2 non-polymer

description	1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL
formula_weight	639.1 kDa
src_method	syn
entity_count	11

Entity 3 non-polymer

description	2,10,23-TRIMETHYL-TETRACOSANE
formula_weight	380.7 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	RETINAL
formula_weight	284.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	14

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6. Citations (3)

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length_a	60.631 Å
length_b	60.631 Å
length_c	108.156 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 63
int_tables_number	173
crystal_system	—

resolution	2.000 Å
resolution_low	12.000 Å
r_factor	0.1720
r_work	—
r_free	0.2190

fit	/app/data/saxs_computation/c8/1c8s/1c8s.fit
pddf	/app/data/pr_computation/c8/1c8s/1c8s.pr.out
profile	/app/data/saxs_computation/c8/1c8s/1c8s.dat