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1agn

X-RAY STRUCTURE OF HUMAN SIGMA ALCOHOL DEHYDROGENASE

Method: X-RAY DIFFRACTION D_max: 149.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1agn
deposition_date	1996-06-04
title	X-RAY STRUCTURE OF HUMAN SIGMA ALCOHOL DEHYDROGENASE
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	42.94 Å
rg_electron	43.62 Å
i0	398323000.00
molecular_weight	163800.0 kDa
excluded_volume	205130 Å³
envelope_volume	256280 Å³
shell_volume	52246 Å³
envelope_diameter	157.9 Å
shell_rg	44.53 Å
envelope_rg	43.41 Å
shape_rg	43.65 Å
total_rg	43.57 Å
total_atoms	11388
n_residues	1492
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	149.3 Å
rg_real	43.31 Å
rg_real_error	1.41 Å
i0_real	3.9830e+08
i0_real_error	7.2710e+06
rg_reciprocal	42.94 Å
i0_reciprocal	398200000.0000
total_estimate	0.8202
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	40.3 Å
skewness	0.532
kurtosis	-0.290
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	64540000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.760; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.801; Smooth: 0.578

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	HUMAN SIGMA ALCOHOL DEHYDROGENASE
formula_weight	39924.4 kDa
ec_number	1.1.1.1
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	11397

GTAGKVIKCKAAVLWEQKQPFSIEEIEVAPPKTKEVRIKILATGICRTDDHVIKGTMVSKFPVIVGHEATGIVESIGEGVTTVKPGDKVIPLFLPQCRECNACRNPDGNLCIRSDITGRGVLADGTTRFTCKGKPVHHFMNTSTFTEYTVVDESSVAKIDDAAPPEKVCLIGCGFSTGYGAAVKTGKVKPGSTCVVFGLGGVGLSVIMGCKSAGASRIIGIDLNKDKFEKAMAVGATECISPKDSTKPISEVLSEMTGNNVGYTFEVIGHLETMIDALASCHMNYGTSVVVGVPPSAKMLTYDPMLLFTGRTWKGCVFGGLKSRDDVPKLVTEFLAKKFDLDQLITHVLPFKKISEGFELLNSGQSIRTVLTF

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	16

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	10

Entity 4 non-polymer

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

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	9

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6. Citations (1)

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length_a	86.300 Å
length_b	94.650 Å
length_c	121.660 Å
angle_alpha	90.00 °
angle_beta	100.03 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	3.000 Å
resolution_low	8.000 Å
r_factor	0.2250
r_work	0.2250
r_free	0.3050

fit	/app/data/saxs_computation/ag/1agn/1agn.fit
pddf	/app/data/pr_computation/ag/1agn/1agn.pr.out
profile	/app/data/saxs_computation/ag/1agn/1agn.dat