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9ugm

Crystal structure of FAD containing choline oxidase mutant from Arthrobacter chlorophenolicus

Method: X-RAY DIFFRACTION D_max: 94.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ugm
deposition_date	2025-04-12
last_revision	2026-04-15
title	Crystal structure of FAD containing choline oxidase mutant from Arthrobacter chlorophenolicus
keywords	Oxidoreductase, choline oxidase, Flavoprotein; FLAVOPROTEIN
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	30.56 Å
rg_electron	29.65 Å
i0	236236000.00
molecular_weight	115980.0 kDa
excluded_volume	142220 Å³
envelope_volume	167010 Å³
shell_volume	45143 Å³
envelope_diameter	98.6 Å
shell_rg	38.37 Å
envelope_rg	29.59 Å
shape_rg	29.67 Å
total_rg	30.28 Å
total_atoms	8145
n_residues	1042
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	94.4 Å
rg_real	30.43 Å
rg_real_error	0.40 Å
i0_real	2.3620e+08
i0_real_error	3.4050e+06
rg_reciprocal	30.49 Å
i0_reciprocal	236200000.0000
total_estimate	0.7191
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	34.5 Å
skewness	0.207
kurtosis	-0.550
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0002
highest_alpha	98230000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.942; Stabil: 1.000; Sysdev: 0.193; Positv: 1.000; Valcen: 0.996; Smooth: 0.941

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	FAD containing choline oxidase mutant
formula_weight	62106.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8364

MGSSHHHHHHSSGLVPRGSHMHIDNIENLSDRGFDYVVIGGGSAGAAVAARLSEDPDVSVALVEAGPDDRNIPEILQLDRWMELLESGYDWDYPIEPQENGNSFMRHARAKVMGGCSSHNACIAFWAPREDLDEWESKYGATGWNAANAWPLYKRLETNQDAGPDAPHHGDSGPVHLMNVPPADPSGVALLDACEEAGIPRARFNTGTTVVNGANFFQINRRGDGTRSSSSVSYIHPIIERDNFTLLTGLRARQLVFDADKRCTGVEVVGGARGRTHRLTARHEVILSTGAIDSPKLLMLSGIGPAEHLAQHGIEVLVDSPGVGENLQDHPEGVVQFEAKQPMVQTSTQWWEIGIFTPTEDGLDRPDLMMHYGSTPRDRNTLRHGYPTTENGFSLTPNVTHARSRGTVRLRSRDFRDKPMVDPRYFTDPEGHDMRVMVAGIRKAREIAAQPAMSAWTGRELSPGVGAQTDEELQDYIRKTHNTVYHPVGTVRMGADDDGMSPLDARLRVKGVTGLRVADASVMPEHVTVNPNITVMMIGERCADLIKADYAGADALEEKELTTSFA

Source

organism	Pseudarthrobacter chlorophenolicus
ncbi_taxonomy_id	85085
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	7

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	219

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6. Citations (1)

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length_a	92.920 Å
length_b	92.920 Å
length_c	344.210 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	—

resolution	2.470 Å
resolution_low	52.220 Å
r_factor	0.1936
r_work	0.1914
r_free	0.2344

fit	/app/data/saxs_computation/ug/9ugm/9ugm.fit
pddf	/app/data/pr_computation/ug/9ugm/9ugm.pr.out
profile	/app/data/saxs_computation/ug/9ugm/9ugm.dat

Crystal structure of FAD containing choline oxidase mutant from Arthrobacter chlorophenolicus

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