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1d1t

MUTANT OF HUMAN SIGMA ALCOHOL DEHYDROGENASE WITH LEUCINE AT POSITION 141

Method: X-RAY DIFFRACTION D_max: 147.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d1t
deposition_date	1999-09-21
title	MUTANT OF HUMAN SIGMA ALCOHOL DEHYDROGENASE WITH LEUCINE AT POSITION 141
keywords	ROSSMANN OR 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	42.90 Å
rg_electron	43.54 Å
i0	406499000.00
molecular_weight	164790.0 kDa
excluded_volume	206000 Å³
envelope_volume	258670 Å³
shell_volume	52611 Å³
envelope_diameter	159.9 Å
shell_rg	44.51 Å
envelope_rg	43.45 Å
shape_rg	43.56 Å
total_rg	43.52 Å
total_atoms	11428
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	147.1 Å
rg_real	43.25 Å
rg_real_error	1.70 Å
i0_real	4.0650e+08
i0_real_error	8.0410e+06
rg_reciprocal	42.90 Å
i0_reciprocal	406300000.0000
total_estimate	0.6122
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	39.8 Å
skewness	0.526
kurtosis	-0.294
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	63390000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.789; Stabil: 1.000; Sysdev: 0.083; Positv: 1.000; Valcen: 0.830; Smooth: 0.507

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	ALCOHOL DEHYDROGENASE CLASS IV SIGMA CHAIN
formula_weight	39906.3 kDa
ec_number	1.1.1.1
mutation	M141L
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	11799

GTAGKVIKCKAAVLWEQKQPFSIEEIEVAPPKTKEVRIKILATGICRTDDHVIKGTMVSKFPVIVGHEATGIVESIGEGVTTVKPGDKVIPLFLPQCRECNACRNPDGNLCIRSDITGRGVLADGTTRFTCKGKPVHHFLNTSTFTEYTVVDESSVAKIDDAAPPEKVCLIGCGFSTGYGAAVKTGKVKPGSTCVVFGLGGVGLSVIMGCKSAGASRIIGIDLNKDKFEKAMAVGATECISPKDSTKPISEVLSEMTGNNVGYTFEVIGHLETMIDALASCHMNYGTSVVVGVPPSAKMLTYDPMLLFTGRTWKGCVFGGLKSRDDVPKLVTEFLAKKFDLDQLITHVLPFKKISEGFELLNSGQSIRTVLTF

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	19

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	13

Entity 4 non-polymer

description	CACODYLATE ION
formula_weight	137.0 kDa
src_method	syn
entity_count	5

Entity 5 non-polymer

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

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	371

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6. Citations (2)

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length_a	85.900 Å
length_b	90.500 Å
length_c	119.800 Å
angle_alpha	90.00 °
angle_beta	99.30 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.400 Å
resolution_low	50.000 Å
r_factor	0.2210
r_work	0.2160
r_free	0.2740

fit	/app/data/saxs_computation/d1/1d1t/1d1t.fit
pddf	/app/data/pr_computation/d1/1d1t/1d1t.pr.out
profile	/app/data/saxs_computation/d1/1d1t/1d1t.dat