Crystal structure of a Zeta class glutathione S-transferase from Arabidopsis thaliana

Method: X-RAY DIFFRACTION D_max: 56.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e6b
deposition_date	2000-08-10
title	Crystal structure of a Zeta class glutathione S-transferase from Arabidopsis thaliana
keywords	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	17.91 Å
rg_electron	16.71 Å
i0	8067470.00
molecular_weight	21690.0 kDa
excluded_volume	27486 Å³
envelope_volume	31793 Å³
shell_volume	15940 Å³
envelope_diameter	57.8 Å
shell_rg	22.77 Å
envelope_rg	17.22 Å
shape_rg	16.69 Å
total_rg	17.80 Å
total_atoms	1529
n_residues	194
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	56.4 Å
rg_real	17.82 Å
rg_real_error	0.35 Å
i0_real	8.0670e+06
i0_real_error	1.1170e+05
rg_reciprocal	17.83 Å
i0_reciprocal	8068000.0000
total_estimate	0.8179
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.9 Å
skewness	0.215
kurtosis	-0.372
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.0000
highest_alpha	1826000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.880; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

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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	75.164 Å
length_b	75.164 Å
length_c	140.520 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	1.650 Å
resolution_low	25.000 Å
r_factor	—
r_work	0.1960
r_free	0.2340

description	GLUTATHIONE S-TRANSFERASE
formula_weight	24914.5 kDa
ec_number	2.5.1.18
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	1683

Crystal structure of a Zeta class glutathione S-transferase from Arabidopsis thaliana

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	ARABIDOPSIS THALIANA
common_name	MOUSE-EAR CRESS
ncbi_taxonomy_id	3702
host_organism	ESCHERICHIA COLI

description	BETA-MERCAPTOETHANOL
formula_weight	78.1 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	136

fit	/app/data/saxs_computation/e6/1e6b/1e6b.fit
pddf	/app/data/pr_computation/e6/1e6b/1e6b.pr.out
profile	/app/data/saxs_computation/e6/1e6b/1e6b.dat