← Back to search

9s51

AcuB from Geobacillus stearothermophilus with ADP and ATP

Method: X-RAY DIFFRACTION D_max: 81.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9s51
deposition_date	2025-07-28
title	AcuB from Geobacillus stearothermophilus with ADP and ATP
keywords	Repressor, acetoin utilization operon, DNA BINDING PROTEIN; DNA BINDING PROTEIN
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	24.42 Å
rg_electron	23.62 Å
i0	36858200.00
molecular_weight	46397.0 kDa
excluded_volume	58079 Å³
envelope_volume	71105 Å³
shell_volume	25336 Å³
envelope_diameter	82.4 Å
shell_rg	30.68 Å
envelope_rg	24.03 Å
shape_rg	23.63 Å
total_rg	24.42 Å
total_atoms	6582
n_residues	400
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	81.1 Å
rg_real	24.44 Å
rg_real_error	0.51 Å
i0_real	3.6860e+07
i0_real_error	4.8010e+05
rg_reciprocal	24.44 Å
i0_reciprocal	36860000.0000
total_estimate	0.8858
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.8 Å
skewness	0.376
kurtosis	-0.341
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	11060000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.856; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.953; Smooth: 0.991

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (7)

Entity 1 polymer

description	AcuB from Geobacillus stearothermophilus
formula_weight	24765.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6601

ALVEQAMKAPVITLRATNTIAEALQLLRHHRIRHLPVVDGEGRLLGLVTSQDLRDASPSIFHLHEHLEDLQKPVSTIMKTDLIVGHPLDFVEEVAALFYEHRIGCLPIVNHGKLVGIITQTDLLRTFIELTGVHQPGSQIEIKVPNEAGMLSKAAAIISERHVNIASVLVYPAPDPNEKILVFRVQTMNPLPLIRDLQNAGYHVLWPNLPGVTSGSSHHHHHH

Source

organism	Bacillus subtilis subsp. subtilis str. 168
ncbi_taxonomy_id	224308
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

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

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	4

▶

6. Citations (1)

▶

length_a	52.433 Å
length_b	96.513 Å
length_c	101.157 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	2.530 Å
resolution_low	48.303 Å
r_factor	—
r_work	0.1922
r_free	0.2434

fit	/app/data/saxs_computation/s5/9s51/9s51.fit
pddf	/app/data/pr_computation/s5/9s51/9s51.pr.out
profile	/app/data/saxs_computation/s5/9s51/9s51.dat