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1ev9

RAT GLUTATHIONE S-TRANSFERASE A1-1 MUTANT W21F WITH GSO3 BOUND

Method: X-RAY DIFFRACTION D_max: 99.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ev9
deposition_date	2000-04-19
title	RAT GLUTATHIONE S-TRANSFERASE A1-1 MUTANT W21F WITH GSO3 BOUND
keywords	disordered C-terminal helices, TRANSFERASE; TRANSFERASE
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	31.05 Å
rg_electron	30.51 Å
i0	83728000.00
molecular_weight	74539.0 kDa
excluded_volume	94461 Å³
envelope_volume	119920 Å³
shell_volume	33765 Å³
envelope_diameter	102.6 Å
shell_rg	36.62 Å
envelope_rg	30.16 Å
shape_rg	30.51 Å
total_rg	31.10 Å
total_atoms	5222
n_residues	642
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	99.3 Å
rg_real	31.15 Å
rg_real_error	0.74 Å
i0_real	8.3730e+07
i0_real_error	1.2750e+06
rg_reciprocal	31.11 Å
i0_reciprocal	83730000.0000
total_estimate	0.8804
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.1 Å
skewness	0.374
kurtosis	-0.613
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	24390000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.874; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.925; Smooth: 0.897

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	GLUTATHIONE S-TRANSFERASE A1-1
formula_weight	25464.9 kDa
ec_number	2.5.1.18
mutation	W20F
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,C,D
atom_count	5388

SGKPVLHYFNARGRMECIRFLLAAAGVEFDEKFIQSPEDLEKLKKDGNLMFDQVPMVEIDGMKLAQTRAILNYIATKYDLYGKDMKERALIDMYSEGILDLTEMIMQLVICPPDQKEAKTALAKDRTKNRYLPAFEKVLKSHGQDYLVGNKLTRVDIHLLELLLYVEEFDASLLTSFPLLKAFKSRISSLPNVKKFLQPGSQRKLPMDAKQIEEARKIFKF

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	GLUTATHIONE SULFONIC ACID
formula_weight	355.3 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	166

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6. Citations (1)

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length_a	84.700 Å
length_b	275.100 Å
length_c	70.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.200 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2360
r_free	0.2990

fit	/app/data/saxs_computation/ev/1ev9/1ev9.fit
pddf	/app/data/pr_computation/ev/1ev9/1ev9.pr.out
profile	/app/data/saxs_computation/ev/1ev9/1ev9.dat

RAT GLUTATHIONE S-TRANSFERASE A1-1 MUTANT W21F WITH GSO3 BOUND

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