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9qi9

Crystal structure of styrene monooxygenase RhStyA

Method: X-RAY DIFFRACTION D_max: 72.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qi9
deposition_date	2025-03-17
last_revision	2026-01-28
title	Crystal structure of styrene monooxygenase RhStyA
keywords	styrene monooxygenase engineered, 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	22.52 Å
rg_electron	21.47 Å
i0	37332000.00
molecular_weight	46774.0 kDa
excluded_volume	58257 Å³
envelope_volume	66842 Å³
shell_volume	25482 Å³
envelope_diameter	76.9 Å
shell_rg	28.58 Å
envelope_rg	21.63 Å
shape_rg	21.45 Å
total_rg	22.34 Å
total_atoms	6500
n_residues	421
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	72.0 Å
rg_real	22.42 Å
rg_real_error	0.40 Å
i0_real	3.7330e+07
i0_real_error	5.2170e+05
rg_reciprocal	22.44 Å
i0_reciprocal	37330000.0000
total_estimate	0.8956
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.3 Å
skewness	0.210
kurtosis	-0.419
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	7575000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.882; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Styrene monooxygenase
formula_weight	49174.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6683

MGSSHHHHHHSSGLVPRGSHMSKSIAIVGAGTAGLHLALYLQQNGVESTIFTDRRPEEYRDVRLLNTVAHHAVTVEREVGLDVDHWPGAGYYGHYYYIGVPGMPIEFYGDLSAGPSRAIDYRLYLPTLMNDFLQRGGKIEYRNIELSDVEDLSDAYDLVLIGTGKGGLGTIFARDEDSSPYSEPQRQLCVGMFKGIADQETRALTFGIAPGNGEMVEIPSVSFNGNATALVFENHIGGDLEVLAKTRYDDDPRAFLDLVLDKLRTYYPLTADRVNEDDFDLANSSLDILQGAVTPGVRHGHVKLGNGKIVGLLGDAHATVDPLLGQGGNMASYAAHVLGEEIIKTDVYDERFFEVVNARRAVRVLGATRWTNYMLKNLRELPNELVEFLGAVSLDRNLADKFTTNFNYPEKQWDIFSSPESMRSWVELNAGSAEVTDARPFAGTGV

Source

organism	Rhodococcus
ncbi_taxonomy_id	1827
host_organism	Escherichia coli

Entity 2 non-polymer

description	NITRATE ION
formula_weight	62.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	2-(2-METHOXYETHOXY)ETHANOL
formula_weight	120.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	162

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6. Citations (2)

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length_a	46.008 Å
length_b	66.216 Å
length_c	68.713 Å
angle_alpha	90.00 °
angle_beta	92.41 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	1.800 Å
resolution_low	47.660 Å
r_factor	0.1717
r_work	0.1702
r_free	0.1965

fit	/app/data/saxs_computation/qi/9qi9/9qi9.fit
pddf	/app/data/pr_computation/qi/9qi9/9qi9.pr.out
profile	/app/data/saxs_computation/qi/9qi9/9qi9.dat

Crystal structure of styrene monooxygenase RhStyA

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