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9ulw

Crystal Structure of Cytochrome P450 GpeC

Method: X-RAY DIFFRACTION D_max: 93.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ulw
deposition_date	2025-04-21
last_revision	2026-04-29
title	Crystal Structure of Cytochrome P450 GpeC
keywords	Cytochrome P450, ripps, cyclic peptide, aromatic crosslinking, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC PROTEIN
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	29.66 Å
rg_electron	28.71 Å
i0	111559000.00
molecular_weight	83749.0 kDa
excluded_volume	104910 Å³
envelope_volume	130860 Å³
shell_volume	37866 Å³
envelope_diameter	98.0 Å
shell_rg	36.22 Å
envelope_rg	28.24 Å
shape_rg	28.69 Å
total_rg	29.47 Å
total_atoms	5915
n_residues	734
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	93.4 Å
rg_real	29.58 Å
rg_real_error	0.55 Å
i0_real	1.1160e+08
i0_real_error	1.7030e+06
rg_reciprocal	29.62 Å
i0_reciprocal	111600000.0000
total_estimate	0.9027
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	35.2 Å
skewness	0.246
kurtosis	-0.476
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	29100000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.935; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.926

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Cytochrome P450
formula_weight	42973.0 kDa
mutation	F62G
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5955

MKFEPSDALFKDPYHFLDLGLDAGSDIIEFPEQNYYLTDLDDAKAVLANKDENYHPHSDFFGTSRGLLQPRSRQVDMARGAVKFLQQHLNATRRLLPERVKEQLQGRHSWPDISNLFMFSLFEPALLDARGDKTLKNCLDEIVHRSVLSGKRLEHGGWRRWLYRQRNYRLLKKEIRARRRGLVECQDVMSALVGAADHGISDTELADIFLSFLFATTGSLGFCLSWCLHLVSEAPEKAKLPSQWLVLEALRLWPVAWNLARMPAKDHQLPSGHKVSNNSVVIACPYSVQRNPKHWPDADRFLPERWQDNSNRQRLLAFGWGEHKCVASNLTLELVSELLDIILGNYHLSCEYSGERPLAQAALAPPSFTLTLSAKT

Source

organism	Gallaecimonas pentaromativorans
ncbi_taxonomy_id	584787
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	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	33

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6. Citations (1)

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length_a	78.405 Å
length_b	78.405 Å
length_c	326.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 43 21 2
int_tables_number	96
crystal_system	tetragonal

resolution	2.620 Å
resolution_low	30.170 Å
r_factor	0.2305
r_work	0.2287
r_free	0.2651

fit	/app/data/saxs_computation/ul/9ulw/9ulw.fit
pddf	/app/data/pr_computation/ul/9ulw/9ulw.pr.out
profile	/app/data/saxs_computation/ul/9ulw/9ulw.dat

Crystal Structure of Cytochrome P450 GpeC

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