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1e0c

SULFURTRANSFERASE FROM AZOTOBACTER VINELANDII

Method: X-RAY DIFFRACTION D_max: 58.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e0c
deposition_date	2000-03-23
title	SULFURTRANSFERASE FROM AZOTOBACTER VINELANDII
keywords	SULFURTRANSFERASE, SULFUR METABOLISM, THIOSULFATE:CYANIDE SULFURTRANSFERASE; SULFURTRANSFERASE
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	19.18 Å
rg_electron	18.00 Å
i0	16103700.00
molecular_weight	30025.0 kDa
excluded_volume	37386 Å³
envelope_volume	40940 Å³
shell_volume	18839 Å³
envelope_diameter	58.1 Å
shell_rg	24.34 Å
envelope_rg	18.22 Å
shape_rg	17.98 Å
total_rg	18.92 Å
total_atoms	2119
n_residues	270
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	58.0 Å
rg_real	19.06 Å
rg_real_error	0.24 Å
i0_real	1.6100e+07
i0_real_error	1.7480e+05
rg_reciprocal	19.08 Å
i0_reciprocal	16100000.0000
total_estimate	0.9101
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.4 Å
skewness	0.166
kurtosis	-0.478
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	2533000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.946; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	SULFURTRANSFERASE
formula_weight	29696.5 kDa
ec_number	2.8.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2460

MDDFASLPLVIEPADLQARLSAPELILVDLTSAARYAEGHIPGARFVDPKRTQLGQPPAPGLQPPREQLESLFGELGHRPEAVYVVYDDEGGGWAGRFIWLLDVIGQQRYHYLNGGLTAWLAEDRPLSRELPAPAGGPVALSLHDEPTASRDYLLGRLGAADLAIWDARSPQEYRGEKVLAAKGGHIPGAVNFEWTAAMDPSRALRIRTDIAGRLEELGITPDKEIVTHCQTHHRSGLTYLIAKALGYPRVKGYAGSWGEWGNHPDTPVEL

Source

organism	AZOTOBACTER VINELANDII
ncbi_taxonomy_id	354
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	341

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6. Citations (2)

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length_a	40.310 Å
length_b	150.310 Å
length_c	53.390 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.800 Å
resolution_low	30.000 Å
r_factor	0.1800
r_work	0.1800
r_free	0.2300

fit	/app/data/saxs_computation/e0/1e0c/1e0c.fit
pddf	/app/data/pr_computation/e0/1e0c/1e0c.pr.out
profile	/app/data/saxs_computation/e0/1e0c/1e0c.dat