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9xc8

Crystal structure of Bacteroides uniformis O-acetyltransferase

Method: X-RAY DIFFRACTION D_max: 77.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xc8
deposition_date	2025-10-25
last_revision	2025-11-12
title	Crystal structure of Bacteroides uniformis O-acetyltransferase
keywords	O-acetyltransferase, TRANSFERASE; TRANSFERASE
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	26.43 Å
rg_electron	24.92 Å
i0	86596700.00
molecular_weight	73791.0 kDa
excluded_volume	92520 Å³
envelope_volume	110630 Å³
shell_volume	35510 Å³
envelope_diameter	80.3 Å
shell_rg	33.61 Å
envelope_rg	25.03 Å
shape_rg	24.90 Å
total_rg	25.91 Å
total_atoms	5223
n_residues	650
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	77.9 Å
rg_real	26.24 Å
rg_real_error	0.32 Å
i0_real	8.6600e+07
i0_real_error	1.2840e+06
rg_reciprocal	26.30 Å
i0_reciprocal	86600000.0000
total_estimate	0.9094
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	76.6 Å
skewness	0.088
kurtosis	-0.529
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	21370000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.960; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.961

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Chloramphenicol O-acetyltransferase
formula_weight	25233.4 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	5954

SMKHIIDIDAWERRDNYGFFRSFVNSWYSVTTEIDCTEASAAARAAKRSFFLYYLYAVVRSANEVDELRYRTDKEGRVVFHDRVDIISPIAVPGKTFYTVRIPYYEDFERFYAEAYALITNMPEDGDPYGAEKILAEQGDYDVVHLSAVPKMYFTSITYTLAEAGNGCSYPLMTAGKAVSREGRLVFPLSIYVNHAFVDGSHLTSFFGKVEEYLKEISHK

Source

organism	Bacteroides uniformis dnLKV2
ncbi_taxonomy_id	1235787
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	209.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	719

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6. Citations (1)

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length_a	93.234 Å
length_b	117.923 Å
length_c	131.459 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	C 2 2 21
int_tables_number	20
crystal_system	orthorhombic

resolution	1.590 Å
resolution_low	29.980 Å
r_factor	0.1896
r_work	0.1885
r_free	0.2094

fit	/app/data/saxs_computation/xc/9xc8/9xc8.fit
pddf	/app/data/pr_computation/xc/9xc8/9xc8.pr.out
profile	/app/data/saxs_computation/xc/9xc8/9xc8.dat

Crystal structure of Bacteroides uniformis O-acetyltransferase

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