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9v6a

X-ray crystal structure of the T66V mutant b5R co-crystallized with NADH

Method: X-RAY DIFFRACTION D_max: 62.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9v6a
deposition_date	2025-05-27
title	X-ray crystal structure of the T66V mutant b5R co-crystallized with NADH
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	19.90 Å
rg_electron	18.66 Å
i0	18226500.00
molecular_weight	32278.0 kDa
excluded_volume	40375 Å³
envelope_volume	46317 Å³
shell_volume	20307 Å³
envelope_diameter	61.4 Å
shell_rg	25.29 Å
envelope_rg	19.01 Å
shape_rg	18.67 Å
total_rg	19.53 Å
total_atoms	3702
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	62.7 Å
rg_real	19.75 Å
rg_real_error	0.26 Å
i0_real	1.8230e+07
i0_real_error	2.1940e+05
rg_reciprocal	19.78 Å
i0_reciprocal	18230000.0000
total_estimate	0.8993
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	25.6 Å
skewness	0.121
kurtosis	-0.479
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	2937000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.898; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.998

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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	30870.7 kDa
ec_number	1.6.2.2
mutation	T66V
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4498

STPAITLENPDIKYPLRLIDKEVVNHDTRRFRFALPSPQHILGLPVGQHIYLSARIDGNLVIRPYVPVSSDDDKGFVDLVIKVYFKDTHPKFPAGGKMSQYLESMKIGDTIEFRGPNGLLVYQGKGKFAIRPDKKSSPVIKTVKSVGMIAGGTGITPMLQVIRAIMKDPDDHTVCHLLFANQTEKDILLRPELEELRNEHSARFKLWYTVDRAPEAWDYSQGFVNEEMIRDHLPPPEEEPLVLMCGPPPMIQYACLPNLERVGHPKERCFAF

Source

organism	Sus scrofa
common_name	pig
ncbi_taxonomy_id	9823
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
formula_weight	665.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	466

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6. Citations (1)

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length_a	47.676 Å
length_b	79.460 Å
length_c	86.481 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	0.940 Å
resolution_low	50.000 Å
r_factor	—
r_work	0.1170
r_free	0.1382

fit	/app/data/saxs_computation/v6/9v6a/9v6a.fit
pddf	/app/data/pr_computation/v6/9v6a/9v6a.pr.out
profile	/app/data/saxs_computation/v6/9v6a/9v6a.dat

X-ray crystal structure of the T66V mutant b5R co-crystallized with NADH

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