← Back to search

9zgl

Ancestrally reconstructed acetolactate synthase - Ancestor N259 with bound ThDP and magnesium.

Method: X-RAY DIFFRACTION D_max: 114.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9zgl
deposition_date	2025-12-03
last_revision	2025-12-17
title	Ancestrally reconstructed acetolactate synthase - Ancestor N259 with bound ThDP and magnesium.
keywords	ThDP, Ancestor, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	37.22 Å
rg_electron	36.63 Å
i0	765335000.00
molecular_weight	232070.0 kDa
excluded_volume	292860 Å³
envelope_volume	343800 Å³
shell_volume	73215 Å³
envelope_diameter	117.3 Å
shell_rg	46.09 Å
envelope_rg	36.73 Å
shape_rg	36.64 Å
total_rg	37.14 Å
total_atoms	16341
n_residues	2156
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	114.3 Å
rg_real	36.98 Å
rg_real_error	0.65 Å
i0_real	7.6530e+08
i0_real_error	1.1730e+07
rg_reciprocal	37.14 Å
i0_reciprocal	765400000.0000
total_estimate	0.9000
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	46.3 Å
skewness	0.129
kurtosis	-0.551
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	611400000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.929

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Ancestral acetolactate synthase, catabolic
formula_weight	61522.0 kDa
ec_number	2.2.1.6
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	16389

MGMSKAEKESEATKAKKGADLVVDSLEKQGVTYVFGIPGAKIDAVFDALADRGPELIVCRHEQNAAFMAAAVGRLTGKPGVCLVTSGPGASNLATGLVTATAEGDPVVALAGAVPRADRLKRTHQSMDNAALFKPVTKYSAEVEDPDNIPEALTNAFRAATSPRKGAAFVSLPQDVLAAPTEVKAIGPLPAPKLGAAPAEAIEEAAEAIKKAKLPVLLLGMRASSPEAVAAIRELLAKTSLPVVETFQAAGAISRELEDHFFGRVGLFRNQPGDLLLEKADVVLTIGYDPVEYDPKLWNKDGKRTIIHLDEVQADIDHDYQPELELIGDIAATVEALAEKLAGLELSEEAAALLEELLAKLAEADEPPAKEESALVHPLQIIHALRSLIDDDVTVTCDVGSHYIWMARYFRSYEPRRLLFSNGMQTLGVALPWAIAAALVRPGEKVVSISGDGGFLFSAMELETAVRLKSPIVHLVWNDGTYDMVAFQQEMKYGRTSGVEFGDVDIVKYAESFGAKGLRVNSPEELAPVLKKALETEGPVVIDVPVDYSDNIKLGEKLLPDQLNHHHHHHHH

Source

organism	synthetic construct
ncbi_taxonomy_id	32630
host_organism	Escherichia coli

Entity 2 non-polymer

description	THIAMINE DIPHOSPHATE
formula_weight	425.3 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	48

▶

6. Citations (1)

▶

length_a	162.942 Å
length_b	163.079 Å
length_c	86.311 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

resolution	2.990 Å
resolution_low	44.270 Å
r_factor	0.1979
r_work	0.1948
r_free	0.2548

fit	/app/data/saxs_computation/zg/9zgl/9zgl.fit
pddf	/app/data/pr_computation/zg/9zgl/9zgl.pr.out
profile	/app/data/saxs_computation/zg/9zgl/9zgl.dat

Ancestrally reconstructed acetolactate synthase - Ancestor N259 with bound ThDP and magnesium.

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