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9qd3

Gluthathion-S-Transferase StyI of Gordonia rubripertincta CWB2

Method: X-RAY DIFFRACTION D_max: 107.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qd3
deposition_date	2025-03-05
title	Gluthathion-S-Transferase StyI of Gordonia rubripertincta CWB2
keywords	Gluthathion-S-Transferase, Gordonia rubripertincta, Styreneoxide degradation, 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	33.78 Å
rg_electron	33.23 Å
i0	204978000.00
molecular_weight	113080.0 kDa
excluded_volume	140300 Å³
envelope_volume	171420 Å³
shell_volume	42450 Å³
envelope_diameter	116.6 Å
shell_rg	40.61 Å
envelope_rg	33.00 Å
shape_rg	33.23 Å
total_rg	33.73 Å
total_atoms	15567
n_residues	968
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	107.7 Å
rg_real	33.77 Å
rg_real_error	0.93 Å
i0_real	2.0500e+08
i0_real_error	3.4440e+06
rg_reciprocal	33.78 Å
i0_reciprocal	205000000.0000
total_estimate	0.9024
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	34.4 Å
skewness	0.274
kurtosis	-0.606
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	70330000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.932; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.956

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Gluthathion-S-Transferase StyI
formula_weight	29878.3 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,C,B,D
atom_count	16725

MGHHHHHHHHHHSSGHIEGRHMITLYRFIPAWDLPCISPFVTKTANYLTMTNQPFEMVEQDLTTLGQDSPTAKLPRIIDSDGTEVNDSSRIQAYLKEKYGDKLDAHLTAGQHAVGLAFQRLVEEHFYFTNIIQSRWRYKEAFQEYIPILAPGVEVTPELAGFLESYRQKIAAEGVGQGMSLLPDDQVLERFKADIDALDARLEENDYILGDEPSSYDSTVYAALRHTTDVHWDWAGRNYARTKQNIAAYNDRMRERYNI

Source

organism	Gordonia rubripertincta
ncbi_taxonomy_id	36822
host_organism	Escherichia coli

Entity 2 non-polymer

description	Glutathione
formula_weight	307.3 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	CACODYLATE ION
formula_weight	137.0 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1138

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6. Citations (2)

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length_a	51.820 Å
length_b	121.580 Å
length_c	178.050 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

resolution	1.700 Å
resolution_low	47.670 Å
r_factor	0.1786
r_work	0.1774
r_free	0.2024

fit	/app/data/saxs_computation/qd/9qd3/9qd3.fit
pddf	/app/data/pr_computation/qd/9qd3/9qd3.pr.out
profile	/app/data/saxs_computation/qd/9qd3/9qd3.dat

Gluthathion-S-Transferase StyI of Gordonia rubripertincta CWB2

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