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9y0o

Crystal structure of Escherichia coli DsbA G149T mutant

Method: X-RAY DIFFRACTION D_max: 90.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9y0o
deposition_date	2025-08-28
title	Crystal structure of Escherichia coli DsbA G149T mutant
keywords	Thiol oxidase mutant, bacterial foldase, thioredoxin fold, 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	24.78 Å
rg_electron	23.62 Å
i0	30485300.00
molecular_weight	43213.0 kDa
excluded_volume	54374 Å³
envelope_volume	67221 Å³
shell_volume	23760 Å³
envelope_diameter	84.7 Å
shell_rg	30.56 Å
envelope_rg	23.42 Å
shape_rg	23.59 Å
total_rg	24.55 Å
total_atoms	3151
n_residues	374
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	90.1 Å
rg_real	24.70 Å
rg_real_error	0.90 Å
i0_real	3.0490e+07
i0_real_error	4.3400e+05
rg_reciprocal	24.72 Å
i0_reciprocal	30490000.0000
total_estimate	0.7725
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	32.9 Å
skewness	0.198
kurtosis	-0.508
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	9082000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.725; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.865; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Thiol:disulfide interchange protein DsbA
formula_weight	21286.2 kDa
ec_number	1.8.4.15
mutation	G149T
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3295

SAQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRTVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEKK

Source

organism	Escherichia coli
ncbi_taxonomy_id	83333
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	13

Entity 3 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	144

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6. Citations (1)

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length_a	68.713 Å
length_b	79.535 Å
length_c	82.427 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.790 Å
resolution_low	43.980 Å
r_factor	0.1976
r_work	0.1962
r_free	0.2247

fit	/app/data/saxs_computation/y0/9y0o/9y0o.fit
pddf	/app/data/pr_computation/y0/9y0o/9y0o.pr.out
profile	/app/data/saxs_computation/y0/9y0o/9y0o.dat

Crystal structure of Escherichia coli DsbA G149T mutant

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