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1e3e

Mouse class II alcohol dehydrogenase complex with NADH

Method: X-RAY DIFFRACTION D_max: 104.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3e
deposition_date	2000-06-14
title	Mouse class II alcohol dehydrogenase complex with NADH
keywords	OXIDOREDUCTASE; 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	30.93 Å
rg_electron	30.84 Å
i0	105190000.00
molecular_weight	81377.0 kDa
excluded_volume	101980 Å³
envelope_volume	126900 Å³
shell_volume	35383 Å³
envelope_diameter	111.7 Å
shell_rg	36.67 Å
envelope_rg	30.74 Å
shape_rg	30.86 Å
total_rg	31.28 Å
total_atoms	5670
n_residues	749
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	104.1 Å
rg_real	31.11 Å
rg_real_error	0.93 Å
i0_real	1.0520e+08
i0_real_error	1.7130e+06
rg_reciprocal	31.04 Å
i0_reciprocal	105200000.0000
total_estimate	0.8530
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.6 Å
skewness	0.482
kurtosis	-0.368
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	64460000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.803; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.836; Smooth: 0.842

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALCOHOL DEHYDROGENASE, CLASS II
formula_weight	40094.4 kDa
ec_number	1.1.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6172

GTQGKVIKCKAAIAWKTGSPLCIEEIEVSPPKACEVRIQVIATCVCPTDINATDPKKKALFPVVLGHECAGIVESVGPGVTNFKPGDKVIPFFAPQCKRCKLCLSPLTNLCGKLRNFKYPTIDQELMEDRTSRFTCKGRSIYHFMGVSSFSQYTVVSEANLARVDDEANLERVCLIGCGFSSGYGAAINTAKVTPGSTCAVFGLGCVGLSAIIGCKIAGASRIIAIDINGEKFPKAKALGATDCLNPRELDKPVQDVITELTAGGVDYSLDCAGTAQTLKAAVDCTVLGWGSCTVVGAKVDEMTIPTVDVILGRSINGTFFGGWKSVDSVPNLVSDYKNKKFDLDLLVTHALPFESINDAIDLMKEGKSIRTILTF

Source

organism	MUS MUSCULUS
common_name	HOUSE MOUSE
ncbi_taxonomy_id	10090
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
formula_weight	665.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	502

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6. Citations (2)

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length_a	81.275 Å
length_b	82.900 Å
length_c	105.528 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	2.120 Å
resolution_low	25.000 Å
r_factor	0.2020
r_work	0.2020
r_free	0.2590

fit	/app/data/saxs_computation/e3/1e3e/1e3e.fit
pddf	/app/data/pr_computation/e3/1e3e/1e3e.pr.out
profile	/app/data/saxs_computation/e3/1e3e/1e3e.dat

Mouse class II alcohol dehydrogenase complex with NADH

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