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9ugs

Butanol Dehydrogenase

Method: X-RAY DIFFRACTION D_max: 71.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ugs
deposition_date	2025-04-13
title	Butanol Dehydrogenase
keywords	National Butanol Dehydrogenase, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC PROTEIN
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	22.95 Å
rg_electron	22.00 Å
i0	28852700.00
molecular_weight	43246.0 kDa
excluded_volume	54916 Å³
envelope_volume	64837 Å³
shell_volume	24300 Å³
envelope_diameter	70.6 Å
shell_rg	29.11 Å
envelope_rg	21.89 Å
shape_rg	22.01 Å
total_rg	22.87 Å
total_atoms	3038
n_residues	385
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	71.2 Å
rg_real	22.85 Å
rg_real_error	0.37 Å
i0_real	2.8850e+07
i0_real_error	4.1080e+05
rg_reciprocal	22.88 Å
i0_reciprocal	28850000.0000
total_estimate	0.9088
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.5 Å
skewness	0.201
kurtosis	-0.464
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	6047000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.942; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	NADH-dependent butanol dehydrogenase A
formula_weight	43336.1 kDa
ec_number	1.1.1.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3207

MDNFNYKNDTKIIFGKDNYSEIGKNIKIFSKKTPKILLHYEADGELIKKLGIYEKVISSLKEFDIEFIELGGVVPNPRLSLVYEGIKICKEENITFILAVGGASVIDSAKAISLGAVDNGDVWDFFTAKRIPQDTLGIGVVLTIPGAGSEMSESSIITDENKKQKAVCDTEVNFPKFAILNPEVCYTIPDRLMAAGIVDILSHLMERYFTKSIDTALSDSLIEATMKIVIKYGPLLMKDRKNYNYCSQIMWAATMAHNGMIACGRVADWASHRIEHEISGIYDLTHGIGMAIIFPAWMKYTKNIRPQIFEKFFKEVFNTVNIDEGINKLEEFFKSLGINLKLSDYGITEEYFSLMAEKALGNSETLGRFMQLNKQDIINILNLAK

Source

organism	Fusobacterium nucleatum
ncbi_taxonomy_id	851
host_organism	Escherichia coli

Entity 2 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	149

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6. Citations (1)

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length_a	65.056 Å
length_b	78.916 Å
length_c	215.517 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.500 Å
resolution_low	27.830 Å
r_factor	0.1903
r_work	0.1849
r_free	0.2373

fit	/app/data/saxs_computation/ug/9ugs/9ugs.fit
pddf	/app/data/pr_computation/ug/9ugs/9ugs.pr.out
profile	/app/data/saxs_computation/ug/9ugs/9ugs.dat

Butanol Dehydrogenase

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