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9wat

Crystal structure of CYP204A3

Method: X-RAY DIFFRACTION D_max: 69.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wat
deposition_date	2025-08-12
title	Crystal structure of CYP204A3
keywords	P450 oxidoreductase, 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	23.14 Å
rg_electron	21.94 Å
i0	38426800.00
molecular_weight	48882.0 kDa
excluded_volume	61466 Å³
envelope_volume	71255 Å³
shell_volume	26487 Å³
envelope_diameter	69.9 Å
shell_rg	29.23 Å
envelope_rg	21.99 Å
shape_rg	21.94 Å
total_rg	22.79 Å
total_atoms	3440
n_residues	437
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	69.4 Å
rg_real	22.99 Å
rg_real_error	0.31 Å
i0_real	3.8430e+07
i0_real_error	4.3500e+05
rg_reciprocal	23.02 Å
i0_reciprocal	38430000.0000
total_estimate	0.9120
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.8 Å
skewness	0.096
kurtosis	-0.573
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	5629000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.957; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Cytochrome P450
formula_weight	50181.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3610

NGFPLLDGGAPLLGHIAQFFRDPVSVLKRGYKTRGKMFAMNFMGQRMNVMLGPEHNRFFFEETDKLLSIRESMPFFLKMFSPDFYSFAEMDEYLRQRSIIMPRFKAASMKQYVPVMVEESLNLVEQLGDEGEFDLIPTLGPIVMDIAAHSFMGREFHEKLGHEFFDLFRDFSGGMEIVLPLWLPTPKMLKSQAAKKKLHTILQSWIEKRRAAPLDPPDFFQTMIETKYPDGRPVPDEIIRHLILLLVWAGHETTAGQVSWALADLLQHPAYAQVLRDEITGLLGGGDGGNLSWEHAIAMEKMDLALRETERLHPVAYMLSRKANADIVREGYTIRKGEFVLLAPSVSHRMEETFPNPDAYDPERFNPANPNAQTTSNSLIGFGGGVHRCAGVNFARMEMKALLVILLQNFDMELMDEVKPIAGASTYWPAQPCRVRYKRR

Source

organism	Novosphingobium sp. 28-62-57
ncbi_taxonomy_id	1970409
host_organism	Escherichia coli

Entity 2 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	170

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6. Citations (1)

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length_a	54.430 Å
length_b	78.077 Å
length_c	108.281 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 2 21 21
int_tables_number	18
crystal_system	—

resolution	2.100 Å
resolution_low	24.320 Å
r_factor	0.2141
r_work	0.2123
r_free	0.2478

fit	/app/data/saxs_computation/wa/9wat/9wat.fit
pddf	/app/data/pr_computation/wa/9wat/9wat.pr.out
profile	/app/data/saxs_computation/wa/9wat/9wat.dat

Crystal structure of CYP204A3

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