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1ev4

RAT GLUTATHIONE S-TRANSFERASE A1-1: MUTANT W21F/F220Y WITH GSO3 BOUND

Method: X-RAY DIFFRACTION D_max: 98.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ev4
deposition_date	2000-04-19
title	RAT GLUTATHIONE S-TRANSFERASE A1-1: MUTANT W21F/F220Y 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	31.07 Å
rg_electron	30.53 Å
i0	86619500.00
molecular_weight	75922.0 kDa
excluded_volume	96316 Å³
envelope_volume	121950 Å³
shell_volume	34226 Å³
envelope_diameter	103.1 Å
shell_rg	36.58 Å
envelope_rg	30.14 Å
shape_rg	30.53 Å
total_rg	31.10 Å
total_atoms	5320
n_residues	649
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	98.8 Å
rg_real	31.15 Å
rg_real_error	0.76 Å
i0_real	8.6620e+07
i0_real_error	1.3840e+06
rg_reciprocal	31.12 Å
i0_reciprocal	86620000.0000
total_estimate	0.8847
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.0 Å
skewness	0.361
kurtosis	-0.607
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	26220000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.940; Smooth: 0.883

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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	25480.9 kDa
ec_number	2.5.1.18
mutation	W21F/F220Y
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,C,D
atom_count	5599

SGKPVLHYFNARGRMECIRFLLAAAGVEFDEKFIQSPEDLEKLKKDGNLMFDQVPMVEIDGMKLAQTRAILNYIATKYDLYGKDMKERALIDMYSEGILDLTEMIMQLVICPPDQKEAKTALAKDRTKNRYLPAFEKVLKSHGQDYLVGNKLTRVDIHLLELLLYVEEFDASLLTSFPLLKAFKSRISSLPNVKKFLQPGSQRKLPMDAKQIEEARKIYKF

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	279

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6. Citations (1)

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length_a	84.600 Å
length_b	275.200 Å
length_c	70.300 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	0.2180
r_free	0.2850

fit	/app/data/saxs_computation/ev/1ev4/1ev4.fit
pddf	/app/data/pr_computation/ev/1ev4/1ev4.pr.out
profile	/app/data/saxs_computation/ev/1ev4/1ev4.dat

RAT GLUTATHIONE S-TRANSFERASE A1-1: MUTANT W21F/F220Y 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