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9qm7

Crystal structure of S-nitrosylated triose phosphate isomerase from Chlamydomonas reinhardtii

Method: X-RAY DIFFRACTION D_max: 55.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qm7
deposition_date	2025-03-21
last_revision	2025-10-01
title	Crystal structure of S-nitrosylated triose phosphate isomerase from Chlamydomonas reinhardtii
keywords	Isomerase, TIM-barrel fold, S-nitrosylation, chloroplast; ISOMERASE
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	18.29 Å
rg_electron	17.14 Å
i0	13034400.00
molecular_weight	27318.0 kDa
excluded_volume	34360 Å³
envelope_volume	38321 Å³
shell_volume	18349 Å³
envelope_diameter	54.2 Å
shell_rg	23.60 Å
envelope_rg	17.36 Å
shape_rg	17.14 Å
total_rg	18.15 Å
total_atoms	1923
n_residues	250
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	55.3 Å
rg_real	18.16 Å
rg_real_error	0.23 Å
i0_real	1.3030e+07
i0_real_error	1.6140e+05
rg_reciprocal	18.18 Å
i0_reciprocal	13030000.0000
total_estimate	0.9050
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.2 Å
skewness	0.075
kurtosis	-0.499
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0000
highest_alpha	3069000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Chloroplast triosephosphate isomerase
formula_weight	27119.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2368

ASSAKFFVGGNWKCNGSVANVAKLVDELNAGTIPRGVDVVVAPPFIYIDYVMQHLDRDKYQLSAQNAWIGGNGAFTGEVSAEQLTDFGVPWVILGHSERRSLFGESNEVVAKKTSHALAAGLGVIACIGETLEQRNSGSVFKVLDAQMDALVDEVKDWTKVVLAYEPVWAIGTGVVASPEQAQEVHAYLRQYCAKKLGAAVADKLRIIYGGSVSDTNCKDLSKQEDIDGFLVGGASLKGAAFVTICNAAGPKAKP

Source

organism	Chlamydomonas reinhardtii
ncbi_taxonomy_id	3055
host_organism	Escherichia coli

Entity 2 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
formula_weight	238.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	346

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6. Citations (1)

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length_a	59.893 Å
length_b	93.361 Å
length_c	100.499 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.200 Å
resolution_low	35.590 Å
r_factor	0.1585
r_work	0.1579
r_free	0.1691

fit	/app/data/saxs_computation/qm/9qm7/9qm7.fit
pddf	/app/data/pr_computation/qm/9qm7/9qm7.pr.out
profile	/app/data/saxs_computation/qm/9qm7/9qm7.dat

Crystal structure of S-nitrosylated triose phosphate isomerase from Chlamydomonas reinhardtii

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