← Back to search

9uy0

Crystal structure of the CYP153A double mutant L354I/V456G from Marinobacter aquaeolei

Method: X-RAY DIFFRACTION D_max: 100.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9uy0
deposition_date	2025-05-14
last_revision	2026-05-27
title	Crystal structure of the CYP153A double mutant L354I/V456G from Marinobacter aquaeolei
keywords	Cytochrome P450, Monooxygenase, Metalloprotein, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	31.35 Å
rg_electron	30.71 Å
i0	144115000.00
molecular_weight	95272.0 kDa
excluded_volume	118880 Å³
envelope_volume	142180 Å³
shell_volume	38681 Å³
envelope_diameter	104.9 Å
shell_rg	37.73 Å
envelope_rg	30.75 Å
shape_rg	30.71 Å
total_rg	31.28 Å
total_atoms	6716
n_residues	844
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	100.2 Å
rg_real	31.38 Å
rg_real_error	0.65 Å
i0_real	1.4410e+08
i0_real_error	2.3760e+06
rg_reciprocal	31.37 Å
i0_reciprocal	144100000.0000
total_estimate	0.8941
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.4 Å
skewness	0.360
kurtosis	-0.478
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	49600000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.916

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Cytochrome P450
formula_weight	55237.0 kDa
mutation	L354I,V456G
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7260

MGMPTLPRTFDDIQSRLINATSRVVPMQRQIQGLKFLMSAKRKTFGPRRPMPEFVETPIPDVNTLALEDIDVSNPFLYRQGQWRAYFKRLRDEAPVHYQKNSPFGPFWSVTRFEDILFVDKSHDLFSAEPQIILGDPPEGLSVEMFIAMDPPKHDVQRSSVQGVVAPKNLKEMEGLIRSRTGDVLDSLPTDKPFNWVPAVSKELTGRMLATLLDFPYEERHKLVEWSDRMAGAASATGGEFADENAMFDDAADMARSFSRLWRDKEARRAAGEEPGFDLISLLQSNKETKDLINRPMEFIGNLTLLIVGGNDTTRNSMSGGLVAMNEFPREFEKLKAKPELIPNMVSEIIRWQTPIAYMRRIAKQDVELGGQTIKKGDRVVMWYASGNRDERKFDNPDQFIIDRKDARNHMSFGYGVHRCMGNRLAELQLRILWEEILKRFDNIEVVEEPERVQSNFGRGYSRLMVKLTPNSLEHHHHHH

Source

organism	Marinobacter nauticus
ncbi_taxonomy_id	2743
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 non-polymer

description	LAURIC ACID
formula_weight	200.3 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	516

▶

6. Citations (1)

▶

length_a	100.960 Å
length_b	101.180 Å
length_c	225.230 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.960 Å
resolution_low	31.990 Å
r_factor	0.1890
r_work	0.1884
r_free	0.2124

fit	/app/data/saxs_computation/uy/9uy0/9uy0.fit
pddf	/app/data/pr_computation/uy/9uy0/9uy0.pr.out
profile	/app/data/saxs_computation/uy/9uy0/9uy0.dat

Crystal structure of the CYP153A double mutant L354I/V456G from Marinobacter aquaeolei

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