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1eqw

CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM CU,ZN SUPEROXIDE DISMUTASE

Method: X-RAY DIFFRACTION D_max: 102.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eqw
deposition_date	2000-04-06
title	CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM CU,ZN SUPEROXIDE DISMUTASE
keywords	superoxide dismutase, Greek key b-barrel, 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	29.46 Å
rg_electron	28.65 Å
i0	70774800.00
molecular_weight	63804.0 kDa
excluded_volume	78864 Å³
envelope_volume	97795 Å³
shell_volume	29361 Å³
envelope_diameter	105.9 Å
shell_rg	34.44 Å
envelope_rg	28.66 Å
shape_rg	28.59 Å
total_rg	29.39 Å
total_atoms	4453
n_residues	619
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	102.4 Å
rg_real	29.52 Å
rg_real_error	0.93 Å
i0_real	7.0770e+07
i0_real_error	9.7910e+05
rg_reciprocal	29.50 Å
i0_reciprocal	70770000.0000
total_estimate	0.8748
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.3 Å
skewness	0.362
kurtosis	-0.299
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	7185000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.834; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.935; Smooth: 0.929

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CU,ZN SUPEROXIDE DISMUTASE
formula_weight	16237.5 kDa
ec_number	1.15.1.1
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	4631

NTLTVKMNDALSSGTGENIGEITVSETPYGLLFTPHLNGLTPGIHGFHVHTNPSCMPGMKDGKEVPALMAGGHLDPEKTGKHLGPYNDKGHLGDLPGLVVNADGTATYPLLAPRLKSLSELKGHSLMIHKGGDNYSDKPAPLGGGGARFACGVIEK

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	178

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6. Citations (1)

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length_a	142.140 Å
length_b	40.659 Å
length_c	114.254 Å
angle_alpha	90.00 °
angle_beta	107.73 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.300 Å
resolution_low	22.600 Å
r_factor	0.2260
r_work	0.2260
r_free	0.2830

fit	/app/data/saxs_computation/eq/1eqw/1eqw.fit
pddf	/app/data/pr_computation/eq/1eqw/1eqw.pr.out
profile	/app/data/saxs_computation/eq/1eqw/1eqw.dat

CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM CU,ZN SUPEROXIDE DISMUTASE

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