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19gs

Glutathione s-transferase p1-1

Method: X-RAY DIFFRACTION D_max: 65.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	19gs
deposition_date	1997-12-14
title	Glutathione s-transferase p1-1
keywords	GLUTATHIONE TRANSFERASE, LIGAND, BROMOSULFALEIN, DETOXIFICATION, 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	21.92 Å
rg_electron	20.92 Å
i0	38569500.00
molecular_weight	48150.0 kDa
excluded_volume	60144 Å³
envelope_volume	67813 Å³
shell_volume	26096 Å³
envelope_diameter	67.5 Å
shell_rg	28.32 Å
envelope_rg	20.96 Å
shape_rg	20.92 Å
total_rg	21.78 Å
total_atoms	3354
n_residues	416
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	65.2 Å
rg_real	21.72 Å
rg_real_error	0.30 Å
i0_real	3.8570e+07
i0_real_error	4.6200e+05
rg_reciprocal	21.76 Å
i0_reciprocal	38570000.0000
total_estimate	0.9070
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.2 Å
skewness	0.083
kurtosis	-0.516
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	8274000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.937; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GLUTATHIONE S-TRANSFERASE
formula_weight	23246.6 kDa
ec_number	2.5.1.18
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3697

PPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;3,3'-(4,5,6,7-TETRABROMO-3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS [6-HYDROXYBENZENESULFONIC ACID]ANION ;
formula_weight	792.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	GLUTATHIONE
formula_weight	307.3 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
formula_weight	195.2 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	315

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6. Citations (2)

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length_a	77.742 Å
length_b	89.984 Å
length_c	68.842 Å
angle_alpha	90.00 °
angle_beta	97.54 °
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	15.000 Å
r_factor	0.2120
r_work	0.2120
r_free	0.2490

fit	/app/data/saxs_computation/9g/19gs/19gs.fit
pddf	/app/data/pr_computation/9g/19gs/19gs.pr.out
profile	/app/data/saxs_computation/9g/19gs/19gs.dat