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1a4z

ALDEHYDE DEHYDROGENASE FROM BOVINE MITOCHONDRIA COMPLEX WITH NAD (REDUCED) AND SAMARIUM (III)

Method: X-RAY DIFFRACTION D_max: 110.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a4z
deposition_date	1998-02-10
title	ALDEHYDE DEHYDROGENASE FROM BOVINE MITOCHONDRIA COMPLEX WITH NAD (REDUCED) AND SAMARIUM (III)
keywords	OXIDOREDUCTASE, ALCOHOL METABOLISM, ALDEHYDE OXIDATION, ALPHA/BETA DOMAIN, DEHYDROGENASE; 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	36.49 Å
rg_electron	35.78 Å
i0	718642000.00
molecular_weight	218870.0 kDa
excluded_volume	273340 Å³
envelope_volume	314760 Å³
shell_volume	69041 Å³
envelope_diameter	112.1 Å
shell_rg	45.15 Å
envelope_rg	35.78 Å
shape_rg	35.75 Å
total_rg	36.38 Å
total_atoms	15376
n_residues	1972
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	110.3 Å
rg_real	36.22 Å
rg_real_error	0.73 Å
i0_real	7.1860e+08
i0_real_error	1.1440e+07
rg_reciprocal	36.39 Å
i0_reciprocal	718800000.0000
total_estimate	0.9032
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	48.8 Å
skewness	0.054
kurtosis	-0.595
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	172100000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.943

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALDEHYDE DEHYDROGENASE
formula_weight	54494.7 kDa
ec_number	1.2.1.3
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	15464

SAATQAVPTPNQQPEVLYNQIFINNEWHDAVSKKTFPTVNPSTGDVICHVAEGDKADVDRAVKAARAAFQLGSPWRRMDASERGRLLNRLADLIERDRTYLAALETLDNGKPYIISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDYFSYTRHEPVGVCGQIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNVIPGFGPTAGAAIASHEDVDKVAFTGSTEVGHLIQVAAGKSNLKRVTLEIGGKSPNIIMSDADMDWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYAEFVERSVARAKSRVVGNPFDSRTEQGPQVDETQFKKVLGYIKSGKEEGLKLLCGGGAAADRGYFIQPTVFGDLQDGMTIAKEEIFGPVMQILKFKSMEEVVGRANNSKYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQSPFGGYKLSGSGRELGEYGLQAYTEVKTVTVRVPQKNS

Entity 2 non-polymer

description	SAMARIUM (III) ION
formula_weight	150.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	88

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6. Citations (1)

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length_a	122.600 Å
length_b	198.400 Å
length_c	91.600 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	—

resolution	2.750 Å
resolution_low	8.000 Å
r_factor	0.2300
r_work	0.2300
r_free	0.3020

fit	/app/data/saxs_computation/a4/1a4z/1a4z.fit
pddf	/app/data/pr_computation/a4/1a4z/1a4z.pr.out
profile	/app/data/saxs_computation/a4/1a4z/1a4z.dat

ALDEHYDE DEHYDROGENASE FROM BOVINE MITOCHONDRIA COMPLEX WITH NAD (REDUCED) AND SAMARIUM (III)

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