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1duw

STRUCTURE OF NONAHEME CYTOCHROME C

Method: X-RAY DIFFRACTION D_max: 81.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1duw
deposition_date	2000-01-19
title	STRUCTURE OF NONAHEME CYTOCHROME C
keywords	heme, electron transport, cytochrome c, hydrogenase, hmc operon; ELECTRON 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	23.18 Å
rg_electron	22.75 Å
i0	24832600.00
molecular_weight	37086.0 kDa
excluded_volume	45767 Å³
envelope_volume	53739 Å³
shell_volume	20547 Å³
envelope_diameter	83.1 Å
shell_rg	28.77 Å
envelope_rg	23.06 Å
shape_rg	22.76 Å
total_rg	23.46 Å
total_atoms	2578
n_residues	289
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	81.7 Å
rg_real	23.29 Å
rg_real_error	0.80 Å
i0_real	2.4830e+07
i0_real_error	3.7240e+05
rg_reciprocal	23.27 Å
i0_reciprocal	24830000.0000
total_estimate	0.8413
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.6 Å
skewness	0.442
kurtosis	-0.397
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	5304000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.710; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.809; Smooth: 0.994

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	NONAHEME CYTOCHROME C
formula_weight	31727.3 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3004

AALEPTDSGAPSAIVMFPVSAKPNPKGAAMKPAVFNHLAHEKKIANCETCHHTGDPVACSTCHTTEGKAEGNFVTLDRAMHATNIAKRAKGNTPVSCVSCHEQQTKERRECAGCHAIVTPKRDQAWCATCHNVTSSMTPEQMQQGIKGKLPPDQNEALAAETVLNHKPVQPLTAMQGPYKVSIDALADKYEPSNFTHRRHMASLMERIKGDKLAEAFHNKPETLCATCHHRSPLSATPPKCGSCHTKEIDPANPNRPNLKAAYHLQCMGCHQGMNVGRPKNTDCTTCHKARP

Entity 2 non-polymer

description	HEME C
formula_weight	618.5 kDa
src_method	syn
entity_count	9

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	423

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6. Citations (1)

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length_a	55.400 Å
length_b	55.400 Å
length_c	236.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.890 Å
resolution_low	30.000 Å
r_factor	0.1830
r_work	0.1830
r_free	0.2350

fit	/app/data/saxs_computation/du/1duw/1duw.fit
pddf	/app/data/pr_computation/du/1duw/1duw.pr.out
profile	/app/data/saxs_computation/du/1duw/1duw.dat

STRUCTURE OF NONAHEME CYTOCHROME C

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction