CRYSTAL STRUCTURE OF MGSTA1-1 IN COMPLEX WITH GSH

Method: X-RAY DIFFRACTION D_max: 67.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f3a
deposition_date	2000-06-01
title	CRYSTAL STRUCTURE OF MGSTA1-1 IN COMPLEX WITH GSH
keywords	Glutathione S-Transferase, Glutathione, 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	22.87 Å
rg_electron	21.74 Å
i0	40877100.00
molecular_weight	51244.0 kDa
excluded_volume	65046 Å³
envelope_volume	78315 Å³
shell_volume	28811 Å³
envelope_diameter	68.3 Å
shell_rg	29.55 Å
envelope_rg	21.71 Å
shape_rg	21.74 Å
total_rg	22.67 Å
total_atoms	3599
n_residues	442
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	67.0 Å
rg_real	22.68 Å
rg_real_error	0.31 Å
i0_real	4.0880e+07
i0_real_error	4.8220e+05
rg_reciprocal	22.73 Å
i0_reciprocal	40880000.0000
total_estimate	0.9078
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	29.9 Å
skewness	0.043
kurtosis	-0.545
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	11170000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.947; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (2)

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length_a	99.303 Å
length_b	93.637 Å
length_c	52.217 Å
angle_alpha	90.00 °
angle_beta	91.80 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.900 Å
resolution_low	30.000 Å
r_factor	0.1910
r_work	0.1910
r_free	0.2480

description	GLUTATHIONE S-TRANSFERASE YA CHAIN
formula_weight	25514.8 kDa
ec_number	2.5.1.18
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4049

CRYSTAL STRUCTURE OF MGSTA1-1 IN COMPLEX WITH GSH

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

description	GLUTATHIONE
formula_weight	307.3 kDa
src_method	syn
entity_count	2

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	450

fit	/app/data/saxs_computation/f3/1f3a/1f3a.fit
pddf	/app/data/pr_computation/f3/1f3a/1f3a.pr.out
profile	/app/data/saxs_computation/f3/1f3a/1f3a.dat