← Back to search

13bb

Acetolactate synthase large subunit from Mycobacterium gordonae in complex with ThDP

Method: X-RAY DIFFRACTION D_max: 81.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	13bb
deposition_date	2026-04-27
last_revision	2026-05-13
title	Acetolactate synthase large subunit from Mycobacterium gordonae in complex with ThDP
keywords	Acetolactate synthase, Structural Genomics, PSI-Biology, Center for Structural Biology of Infectious Diseases, CSBID, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	25.57 Å
rg_electron	24.50 Å
i0	62529100.00
molecular_weight	59674.0 kDa
excluded_volume	73926 Å³
envelope_volume	87129 Å³
shell_volume	29419 Å³
envelope_diameter	85.7 Å
shell_rg	32.16 Å
envelope_rg	24.78 Å
shape_rg	24.53 Å
total_rg	25.22 Å
total_atoms	4175
n_residues	552
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	81.7 Å
rg_real	25.51 Å
rg_real_error	0.54 Å
i0_real	6.2530e+07
i0_real_error	8.0810e+05
rg_reciprocal	25.53 Å
i0_reciprocal	62530000.0000
total_estimate	0.9024
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.7 Å
skewness	0.255
kurtosis	-0.502
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	15100000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.992

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	acetolactate synthase
formula_weight	59809.2 kDa
ec_number	2.2.1.6
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4503

SNAMSAPANTSEQLVNALADEGVEYVFGIPGDENLHFMEALRKDGRITFVLFRHEQAAGFAAAAYGRLTGKLAVAMSTLGAGAMNLTTPVAHAYLAAMPMLVITGQKAVRDNRMGQYQLVDVVDVMRPITKFAAKIPSGPMAGSLVRQAMMSALGGRQGPAHLELPDDVARDTELGPSVPCRHSDIPVATQQSIDVAAALIRTAGRPLIMVGGGTRANRPEVAAAARALIDKTQIPFVATMMGKGVADEDHPLYVGCSIMPADYPNCAIQAADVILNVGHDVMEKPTLFMRADGAQTVIHLNPFAAQGDNSYFPQAQIVGEMADALRRLTAQLAPNPDWDHDDFHRLAEATRNSVARSATDTSAPAKQGHLIATLRDFMADDDILSLDNGIHMMWATRNFNARQPNTMLIDHALGSMGISLPAAIAAKLVHPERKVVVLTGDGGFAMNIQDLETAVRLRLDLIVVVFNDKSLGMIAMKQTADGYPRYGVDFDNPDFVGLARSYGATGHRLTDPARFRALLDEAAAAGGVHIIDAPVDPHANMALMQEMRSVDCSRGDR

Source

organism	Mycobacterium gordonae
ncbi_taxonomy_id	1778
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	THIAMINE DIPHOSPHATE
formula_weight	425.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	277

▶

6. Citations (1)

▶

length_a	156.006 Å
length_b	156.006 Å
length_c	101.590 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 41 2 2
int_tables_number	98
crystal_system	tetragonal

resolution	1.870 Å
resolution_low	57.510 Å
r_factor	0.1765
r_work	0.1747
r_free	0.2109

fit	/app/data/saxs_computation/3b/13bb/13bb.fit
pddf	/app/data/pr_computation/3b/13bb/13bb.pr.out
profile	/app/data/saxs_computation/3b/13bb/13bb.dat