← Back to search

9xub

Crystal Structure of Thioredoxin reductase from Mycobacterium tuberculosis.

Method: X-RAY DIFFRACTION D_max: 111.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9xub
deposition_date	2025-11-24
title	Crystal Structure of Thioredoxin reductase from Mycobacterium tuberculosis.
keywords	Thioredoxin reductase, Mycobacterium tuberculosis, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	33.70 Å
rg_electron	33.22 Å
i0	258758000.00
molecular_weight	123310.0 kDa
excluded_volume	151850 Å³
envelope_volume	189790 Å³
shell_volume	46938 Å³
envelope_diameter	122.5 Å
shell_rg	40.54 Å
envelope_rg	33.36 Å
shape_rg	33.22 Å
total_rg	33.71 Å
total_atoms	8660
n_residues	1136
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	111.9 Å
rg_real	33.69 Å
rg_real_error	0.87 Å
i0_real	2.5880e+08
i0_real_error	4.1820e+06
rg_reciprocal	33.70 Å
i0_reciprocal	258800000.0000
total_estimate	0.8865
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.1 Å
skewness	0.348
kurtosis	-0.359
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	98400000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.868; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.937

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	Thioredoxin reductase
formula_weight	32902.9 kDa
ec_number	1.8.1.9
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	9117

GVRDVIVIGSGPAGYTAALYAARAQLAPLVFEGTSFGGALMTTTDVENYPGFRNGITGPELMDEMREQALRFGADLRMEDVESVSLHGPLKSVVTADGQTHRARAVILAMGAAARYLQVPGEQELLGRGVSSCATCDGFFFRDQDIAVIGGGDSAMEEATFLTRFARSVTLVHRRDEFRASKIMLDRARNNDKIRFLTNHTVVAVDGDTTVTGLRVRDTNTGAETTLPVTGVFVAIGHEPRSGLVREAIDVDPDGYVLVQGRTTSTSLPGVFAAGDLVDRTYRQAVTAAGSGCAAAIDAERWLAEHAAT

Source

organism	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
ncbi_taxonomy_id	83331
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	457

▶

6. Citations (1)

▶

length_a	99.354 Å
length_b	107.600 Å
length_c	220.410 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	C 2 2 21
int_tables_number	20
crystal_system	orthorhombic

resolution	2.600 Å
resolution_low	43.410 Å
r_factor	0.1824
r_work	0.1796
r_free	0.2323

fit	/app/data/saxs_computation/xu/9xub/9xub.fit
pddf	/app/data/pr_computation/xu/9xub/9xub.pr.out
profile	/app/data/saxs_computation/xu/9xub/9xub.dat

Crystal Structure of Thioredoxin reductase from Mycobacterium tuberculosis.

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