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9u4x

Crystal Structure of Alcohol Dehydrogenase from Anoxybacillus geothermalis D9

Method: X-RAY DIFFRACTION D_max: 154.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9u4x
deposition_date	2025-03-20
last_revision	2026-03-25
title	Crystal Structure of Alcohol Dehydrogenase from Anoxybacillus geothermalis D9
keywords	Thermostable, Oxidoreductase, Zinc-dependent enzyme; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

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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	47.23 Å
rg_electron	47.13 Å
i0	1157010000.00
molecular_weight	289250.0 kDa
excluded_volume	364830 Å³
envelope_volume	485660 Å³
shell_volume	84074 Å³
envelope_diameter	156.1 Å
shell_rg	52.80 Å
envelope_rg	46.47 Å
shape_rg	47.14 Å
total_rg	47.30 Å
total_atoms	40488
n_residues	2696
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	154.6 Å
rg_real	47.24 Å
rg_real_error	1.32 Å
i0_real	1.1570e+09
i0_real_error	2.0810e+07
rg_reciprocal	47.23 Å
i0_reciprocal	1157000000.0000
total_estimate	0.8770
solution_quality	GOOD a GOOD solution
n_peaks	0
r_peak_primary	— Å
skewness	0.336
kurtosis	-0.464
angular_range	— – 0.1650 Å⁻¹
current_alpha	0.0000
highest_alpha	127800000.0000
n_real_points	34
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.730

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Alcohol dehydrogenase
formula_weight	36092.7 kDa
ec_number	1.1.1.1
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	40614

MKAAVVHQFKQKLQIEEVEKPKLEYGEVLVKIEACGVCHTDLHAAHGDWPVKPKLPLIPGHEGVGVVVEVAPGVKSIKVGDRVGIPWLYSACGECEYCLSGQETLCPHQLNGGYSVDGGYAEYCKAPADYVARIPDNLDPVEVAPILCAGVTTYKALKVSNAKPGDWVAIYGIGGLGHIALQYAKAMGFNVVAVDISDDKAELATKLGADIAINGLKEDPVQAIHEKVGGVQAAISVAVTKKAFEQAYQSIKRGGCLVVVGLPHDELPIPIFDTVLNGITVKGSIVGTRKDMQEALNFAAQGKVRPIVEAVSLEHINEVFERMEKGQINGRIVLTMQ

Source

organism	Anoxybacteroides rupiense
ncbi_taxonomy_id	311460
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	16

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	126

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6. Citations (1)

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length_a	83.607 Å
length_b	130.769 Å
length_c	134.918 Å
angle_alpha	90.00 °
angle_beta	90.70 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.700 Å
resolution_low	48.970 Å
r_factor	—
r_work	0.2003
r_free	0.2408

fit	/app/data/saxs_computation/u4/9u4x/9u4x.fit
pddf	/app/data/pr_computation/u4/9u4x/9u4x.pr.out
profile	/app/data/saxs_computation/u4/9u4x/9u4x.dat

Crystal Structure of Alcohol Dehydrogenase from Anoxybacillus geothermalis D9

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