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9v69

X-ray crystal structure of the two-electron reduced form of wild type b5R

Method: X-RAY DIFFRACTION D_max: 61.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9v69
deposition_date	2025-05-27
title	X-ray crystal structure of the two-electron reduced form of wild type b5R
keywords	fatty acid synthesis, methemoglobin reduction, xenobiotic oxidation, antioxidant defense, OXIDOREDUCTASE; OXIDOREDUCTASE
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	19.91 Å
rg_electron	18.67 Å
i0	18256600.00
molecular_weight	32280.0 kDa
excluded_volume	40358 Å³
envelope_volume	46395 Å³
shell_volume	20333 Å³
envelope_diameter	62.9 Å
shell_rg	25.36 Å
envelope_rg	19.02 Å
shape_rg	18.68 Å
total_rg	19.55 Å
total_atoms	3551
n_residues	272
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	61.2 Å
rg_real	19.76 Å
rg_real_error	0.31 Å
i0_real	1.8260e+07
i0_real_error	2.0370e+05
rg_reciprocal	19.79 Å
i0_reciprocal	18260000.0000
total_estimate	0.9041
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.127
kurtosis	-0.471
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	2772000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.976

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	NADH-cytochrome b5 reductase 3
formula_weight	30872.7 kDa
ec_number	1.6.2.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4414

STPAITLENPDIKYPLRLIDKEVVNHDTRRFRFALPSPQHILGLPVGQHIYLSARIDGNLVIRPYTPVSSDDDKGFVDLVIKVYFKDTHPKFPAGGKMSQYLESMKIGDTIEFRGPNGLLVYQGKGKFAIRPDKKSSPVIKTVKSVGMIAGGTGITPMLQVIRAIMKDPDDHTVCHLLFANQTEKDILLRPELEELRNEHSARFKLWYTVDRAPEAWDYSQGFVNEEMIRDHLPPPEEEPLVLMCGPPPMIQYACLPNLERVGHPKERCFAF

Source

organism	Sus scrofa
common_name	pig
ncbi_taxonomy_id	9823
host_organism	Escherichia coli

Entity 2 non-polymer

description	DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
formula_weight	787.6 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	450

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6. Citations (1)

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length_a	48.021 Å
length_b	79.255 Å
length_c	86.827 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

resolution	0.960 Å
resolution_low	50.000 Å
r_factor	—
r_work	0.1265
r_free	0.1481

fit	/app/data/saxs_computation/v6/9v69/9v69.fit
pddf	/app/data/pr_computation/v6/9v69/9v69.pr.out
profile	/app/data/saxs_computation/v6/9v69/9v69.dat

X-ray crystal structure of the two-electron reduced form of wild type b5R

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