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9r0w

Crystal structure of glutathione transferase iota 1 from Synechocystis sp. PCC 6803 in complex with FMN

Method: X-RAY DIFFRACTION D_max: 167.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r0w
deposition_date	2025-04-24
title	Crystal structure of glutathione transferase iota 1 from Synechocystis sp. PCC 6803 in complex with FMN
keywords	Glutathione transferase, FMN, glutathione, phycoerythrin, 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	48.84 Å
rg_electron	49.20 Å
i0	791693000.00
molecular_weight	232150.0 kDa
excluded_volume	289430 Å³
envelope_volume	396260 Å³
shell_volume	67779 Å³
envelope_diameter	168.0 Å
shell_rg	52.23 Å
envelope_rg	48.12 Å
shape_rg	49.18 Å
total_rg	49.35 Å
total_atoms	16352
n_residues	1995
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	167.4 Å
rg_real	49.05 Å
rg_real_error	1.79 Å
i0_real	7.9170e+08
i0_real_error	1.5360e+07
rg_reciprocal	48.85 Å
i0_reciprocal	791500000.0000
total_estimate	0.8753
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	57.6 Å
skewness	0.352
kurtosis	-0.540
angular_range	— – 0.1600 Å⁻¹
current_alpha	0.0000
highest_alpha	56980000.0000
n_real_points	33
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.864; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.934; Smooth: 0.847

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Sll1902 protein
formula_weight	46003.2 kDa
src_method	man
entity_count	5

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E
atom_count	16352

MITPLSWQALAELSDYQVDTVNGPTNAQATLRLFGQSKESLQVTLYRDNHAWCPYCQKVWLWLEEKQIPYRIKKVTMFCYGEKEDWYKKLVPSGMLPALELDGRFYTESDDILIALEKAFGPLLWAMEDPLVLPLRKLERLLFRAWCNWLCYPAMFPGADQRNQQQFQQVVNQVEKALEKLPGPYFLPEFSTADIVFVPYVERMNASLFYYKGYSLREDNPRLKDWFAALETRMTYRGTQSDFHTHAHDLPPQMGGCYSNGSVQAQQNQQRVDNGPWFGLPDATCPEPENVKQEAIARVVKHHENIIKVNAHNQGEKFDQALRCALTLLATGEKCAAPQGTDQALRYLRDRINVPRDMSIYAAKHLRQALETTASLVGDSEGEPIPVRHRRDQDPANFR

Source

organism	Synechocystis sp. PCC 6803
ncbi_taxonomy_id	1148
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN MONONUCLEOTIDE
formula_weight	456.3 kDa
src_method	syn
entity_count	5

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	5

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	123.313 Å
length_b	173.927 Å
length_c	318.382 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	40

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.710 Å
resolution_low	48.791 Å
r_factor	—
r_work	0.2084
r_free	0.2417

fit	/app/data/saxs_computation/r0/9r0w/9r0w.fit
pddf	/app/data/pr_computation/r0/9r0w/9r0w.pr.out
profile	/app/data/saxs_computation/r0/9r0w/9r0w.dat

Crystal structure of glutathione transferase iota 1 from Synechocystis sp. PCC 6803 in complex with FMN

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