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9vgm

Crystal structure of the cytochrome P450 RosC

Method: X-RAY DIFFRACTION D_max: 134.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vgm
deposition_date	2025-06-14
last_revision	2026-04-22
title	Crystal structure of the cytochrome P450 RosC
keywords	Cytochrome P450, RosC, Multistep oxidation, Rosamicin, macrolide biosynthesis, 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	39.05 Å
rg_electron	38.66 Å
i0	260834000.00
molecular_weight	132870.0 kDa
excluded_volume	166780 Å³
envelope_volume	217800 Å³
shell_volume	48740 Å³
envelope_diameter	135.9 Å
shell_rg	42.42 Å
envelope_rg	38.36 Å
shape_rg	38.68 Å
total_rg	38.81 Å
total_atoms	9390
n_residues	1155
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	134.6 Å
rg_real	39.24 Å
rg_real_error	1.35 Å
i0_real	2.6080e+08
i0_real_error	4.4860e+06
rg_reciprocal	39.13 Å
i0_reciprocal	260800000.0000
total_estimate	0.8629
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	37.0 Å
skewness	0.421
kurtosis	-0.387
angular_range	— – 0.2000 Å⁻¹
current_alpha	0.0000
highest_alpha	63060000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.817; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.902; Smooth: 0.861

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Cytochrome P450
formula_weight	44052.8 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	9783

GSHMGLLDWFAYMREHWPVSWDENRQAWHVFNYRDYLTVTTNPLIFSSDFSPAFPVPPELALLMGPGTIGGIDPPRHGPMRKLVSQAFTPRRIAQMEARIETITADILRQVRDQERIDIAADLAYPLPVTVIADMLGIPNEDHEKFREWVDIILSNEGLEYPNLPDDFTETVGPAIAEWSEFLYAQIAEKRARPQDDLMSGLLAVEVEGRKLTDEEVVNIVALLLTAGHISSATLLSNLFLVLEEHPEALAAVRADRSLVPGVVEETLRWRSPFNCIFRLLAQDTEIFGQPMRKGQMVIAWIASANRDTEVFTDPDTFDIRRESNKHLAFGYGIHHCLGAFLARQEAKVFLNQVLDEFSEFSIDHDGVEFYDPDQLTARRLPVQVVRG

Source

organism	Micromonospora rosaria
ncbi_taxonomy_id	47874
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	312

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6. Citations (1)

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length_a	102.878 Å
length_b	168.974 Å
length_c	210.702 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	C 2 2 21
int_tables_number	20
crystal_system	orthorhombic

resolution	2.150 Å
resolution_low	48.100 Å
r_factor	0.1826
r_work	0.1808
r_free	0.2177

fit	/app/data/saxs_computation/vg/9vgm/9vgm.fit
pddf	/app/data/pr_computation/vg/9vgm/9vgm.pr.out
profile	/app/data/saxs_computation/vg/9vgm/9vgm.dat

Crystal structure of the cytochrome P450 RosC

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