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1cw3

HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+

Method: X-RAY DIFFRACTION D_max: 167.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cw3
deposition_date	1999-08-25
title	HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+
keywords	DINUCLEOTIDE FOLD, 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	53.96 Å
rg_electron	54.16 Å
i0	2728590000.00
molecular_weight	437220.0 kDa
excluded_volume	546240 Å³
envelope_volume	675780 Å³
shell_volume	103630 Å³
envelope_diameter	182.0 Å
shell_rg	56.52 Å
envelope_rg	53.78 Å
shape_rg	54.15 Å
total_rg	54.27 Å
total_atoms	30752
n_residues	3952
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	167.2 Å
rg_real	54.20 Å
rg_real_error	1.39 Å
i0_real	2.7290e+09
i0_real_error	5.4110e+07
rg_reciprocal	53.75 Å
i0_reciprocal	2727000000.0000
total_estimate	0.8229
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	51.9 Å
skewness	0.493
kurtosis	-0.382
angular_range	— – 0.1450 Å⁻¹
current_alpha	0.0000
highest_alpha	320400000.0000
n_real_points	30
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.897; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.007

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MITOCHONDRIAL ALDEHYDE DEHYDROGENASE
formula_weight	53970.1 kDa
ec_number	1.2.1.3
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	31839

AVPAPNQQPEVFCNQIFINNEWHDAVSRKTFPTVNPSTGEVICQVAEGDKEDVDKAVKAARAAFQLGSPWRRMDASHRGRLLNRLADLIERDRTYLAALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCGQIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPGFGPTAGAAIASHEDVDKVAFTGSTEIGRVIQVAAGSSNLKRVTLELGGKSPNIIMSDADMDWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYDEFVERSVARAKSRVVGNPFDSKTEQGPQVDETQFKKILGYINTGKQEGAKLLCGGGIAADRGYFIQPTVFGDVQDGMTIAKEEIFGPVMQILKFKTIEEVVGRANNSTYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQSPFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	8

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1087

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6. Citations (2)

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length_a	101.400 Å
length_b	176.300 Å
length_c	102.000 Å
angle_alpha	90.00 °
angle_beta	94.70 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.580 Å
resolution_low	45.000 Å
r_factor	0.1800
r_work	0.1750
r_free	0.2420

fit	/app/data/saxs_computation/cw/1cw3/1cw3.fit
pddf	/app/data/pr_computation/cw/1cw3/1cw3.pr.out
profile	/app/data/saxs_computation/cw/1cw3/1cw3.dat