← Back to search

9vgn

Crystal structure of the cytochrome P450 RosC mutant P107S/L176Q

Method: X-RAY DIFFRACTION D_max: 126.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9vgn
deposition_date	2025-06-14
last_revision	2026-04-22
title	Crystal structure of the cytochrome P450 RosC mutant P107S/L176Q
keywords	Cytochrome P450, RosC, Multistep oxidation, Rosamicin, macrolide biosynthesis, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	38.88 Å
rg_electron	38.49 Å
i0	255664000.00
molecular_weight	131360.0 kDa
excluded_volume	164850 Å³
envelope_volume	213720 Å³
shell_volume	48169 Å³
envelope_diameter	134.5 Å
shell_rg	42.27 Å
envelope_rg	38.13 Å
shape_rg	38.51 Å
total_rg	38.64 Å
total_atoms	9282
n_residues	1141
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

▼

3. P(r) Analysis (GNOM)

dmax	126.2 Å
rg_real	39.07 Å
rg_real_error	1.34 Å
i0_real	2.5570e+08
i0_real_error	4.7140e+06
rg_reciprocal	38.96 Å
i0_reciprocal	255600000.0000
total_estimate	0.8209
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	36.9 Å
skewness	0.421
kurtosis	-0.374
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	52080000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.900; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Cytochrome P450
formula_weight	44057.8 kDa
mutation	P107S,L176Q
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	9452

GSHMGLLDWFAYMREHWPVSWDENRQAWHVFNYRDYLTVTTNPLIFSSDFSPAFPVPPELALLMGPGTIGGIDPPRHGPMRKLVSQAFTSRRIAQMEARIETITADILRQVRDQERIDIAADLAYPLPVTVIADMLGIPNEDHEKFREWVDIILSNEGQEYPNLPDDFTETVGPAIAEWSEFLYAQIAEKRARPQDDLMSGLLAVEVEGRKLTDEEVVNIVALLLTAGHISSATLLSNLFLVLEEHPEALAAVRADRSLVPGVVEETLRWRSPFNCIFRLLAQDTEIFGQPMRKGQMVIAWIASANRDTEVFTDPDTFDIRRESNKHLAFGYGIHHCLGAFLARQEAKVFLNQVLDEFSEFSIDHDGVEFYDPDQLTARRLPVQVVRG

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 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	107

▶

6. Citations (1)

▶

length_a	102.210 Å
length_b	167.770 Å
length_c	211.440 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	2.450 Å
resolution_low	49.060 Å
r_factor	0.2117
r_work	0.2102
r_free	0.2669

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

Crystal structure of the cytochrome P450 RosC mutant P107S/L176Q

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