Tetrameric cystathionine beta-synthase of Mycobacterium tuberculosis bound to O-Benzylhydroxylamine

Method: ELECTRON MICROSCOPY D_max: 144.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9u7n
deposition_date	2025-03-25
title	Tetrameric cystathionine beta-synthase of Mycobacterium tuberculosis bound to O-Benzylhydroxylamine
keywords	Inhibitor, Lyase, Complex; LYASE
method	ELECTRON MICROSCOPY

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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	43.36 Å
rg_electron	43.25 Å
i0	572074000.00
molecular_weight	192910.0 kDa
excluded_volume	240510 Å³
envelope_volume	341190 Å³
shell_volume	68128 Å³
envelope_diameter	145.0 Å
shell_rg	46.47 Å
envelope_rg	41.38 Å
shape_rg	43.28 Å
total_rg	43.33 Å
total_atoms	13560
n_residues	1828
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	144.0 Å
rg_real	43.44 Å
rg_real_error	1.24 Å
i0_real	5.7210e+08
i0_real_error	8.2720e+06
rg_reciprocal	43.36 Å
i0_reciprocal	572000000.0000
total_estimate	0.8746
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	48.0 Å
skewness	0.386
kurtosis	-0.483
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0000
highest_alpha	64730000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.839; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.859

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	4.190 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	4.19 Å
resolution_method	—
num_particles	211131

description	Probable cystathionine beta-synthase Rv1077
formula_weight	50513.0 kDa
ec_number	4.2.1.22
src_method	man
entity_count	4

Tetrameric cystathionine beta-synthase of Mycobacterium tuberculosis bound to O-Benzylhydroxylamine

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

EM 3D

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Mycobacterium tuberculosis H37Rv
ncbi_taxonomy_id	83332
host_organism	Escherichia coli

description	O-benzylhydroxylamine
formula_weight	123.2 kDa
src_method	syn
entity_count	4

fit	/app/data/saxs_computation/u7/9u7n/9u7n.fit
pddf	/app/data/pr_computation/u7/9u7n/9u7n.pr.out
profile	/app/data/saxs_computation/u7/9u7n/9u7n.dat

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	13560