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1f18

Crystal structure of yeast copper-zinc superoxide dismutase mutant GLY85ARG

Method: X-RAY DIFFRACTION D_max: 52.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f18
deposition_date	2000-05-18
title	Crystal structure of yeast copper-zinc superoxide dismutase mutant GLY85ARG
keywords	FALS, CuZnSOD, Greek Key, Beta 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	15.36 Å
rg_electron	14.23 Å
i0	5569040.00
molecular_weight	15947.0 kDa
excluded_volume	19515 Å³
envelope_volume	21964 Å³
shell_volume	12973 Å³
envelope_diameter	51.6 Å
shell_rg	20.19 Å
envelope_rg	14.68 Å
shape_rg	14.23 Å
total_rg	15.34 Å
total_atoms	1115
n_residues	153
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	52.1 Å
rg_real	15.26 Å
rg_real_error	0.34 Å
i0_real	5.5690e+06
i0_real_error	6.7810e+04
rg_reciprocal	15.27 Å
i0_reciprocal	5569000.0000
total_estimate	0.7975
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.8 Å
skewness	0.136
kurtosis	-0.380
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	818000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.789; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	COPPER-ZINC SUPEROXIDE DISMUTASE
formula_weight	15974.7 kDa
ec_number	1.15.1.1
mutation	G85R
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1277

MVQAVAVLKGDAGVSGVVKFEQASESEPTTVSYEIAGNSPNAERGFHIHEFGDATNGCVSAGPHFNPFKKTHGAPTDEVRHVGDMRNVKTDENGVAKGSFKDSLIKLIGPTSVVGRSVVIHAGQDDLGKGDTEESLKTGNAGPRPACGVIGLTN

Source

organism	Saccharomyces cerevisiae
common_name	;baker's yeast ;
ncbi_taxonomy_id	4932
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	162

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6. Citations (1)

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length_a	118.500 Å
length_b	118.500 Å
length_c	73.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	1.700 Å
resolution_low	60.000 Å
r_factor	—
r_work	0.1970
r_free	0.2340

fit	/app/data/saxs_computation/f1/1f18/1f18.fit
pddf	/app/data/pr_computation/f1/1f18/1f18.pr.out
profile	/app/data/saxs_computation/f1/1f18/1f18.dat

Crystal structure of yeast copper-zinc superoxide dismutase mutant GLY85ARG

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