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1f1a

Crystal structure of yeast H48Q cuznsod fals mutant analog

Method: X-RAY DIFFRACTION D_max: 51.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f1a
deposition_date	2000-05-18
title	Crystal structure of yeast H48Q cuznsod fals mutant analog
keywords	;FALS, CuZnSOD, Lou Gehrig's Disease, 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	15.37 Å
rg_electron	14.25 Å
i0	5519090.00
molecular_weight	15838.0 kDa
excluded_volume	19386 Å³
envelope_volume	21757 Å³
shell_volume	12880 Å³
envelope_diameter	50.6 Å
shell_rg	20.11 Å
envelope_rg	14.64 Å
shape_rg	14.25 Å
total_rg	15.36 Å
total_atoms	1107
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	51.5 Å
rg_real	15.26 Å
rg_real_error	0.25 Å
i0_real	5.5190e+06
i0_real_error	5.9850e+04
rg_reciprocal	15.27 Å
i0_reciprocal	5519000.0000
total_estimate	0.8802
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.6 Å
skewness	0.117
kurtosis	-0.415
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	762500.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.813; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 1.000

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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	15864.6 kDa
ec_number	1.15.1.1
mutation	H48Q
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1205

MVQAVAVLKGDAGVSGVVKFEQASESEPTTVSYEIAGNSPNAERGFHIQEFGDATNGCVSAGPHFNPFKKTHGAPTDEVRHVGDMGNVKTDENGVAKGSFKDSLIKLIGPTSVVGRSVVIHAGQDDLGKGDTEESLKTGNAGPRPACGVIGLTN

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	98

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6. Citations (1)

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length_a	118.800 Å
length_b	118.800 Å
length_c	75.000 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	1.800 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.2000
r_free	0.2330

fit	/app/data/saxs_computation/f1/1f1a/1f1a.fit
pddf	/app/data/pr_computation/f1/1f1a/1f1a.pr.out
profile	/app/data/saxs_computation/f1/1f1a/1f1a.dat

Crystal structure of yeast H48Q cuznsod fals mutant analog

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