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1a7k

GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN A MONOCLINIC CRYSTAL FORM

Method: X-RAY DIFFRACTION D_max: 99.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a7k
deposition_date	1998-03-16
title	GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN A MONOCLINIC CRYSTAL FORM
keywords	GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, GLYCOSOME, TRYPANOSOME, OXIDOREDUCTASE; OXIDOREDUCTASE
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	33.00 Å
rg_electron	32.36 Å
i0	397693000.00
molecular_weight	157940.0 kDa
excluded_volume	196590 Å³
envelope_volume	231360 Å³
shell_volume	56300 Å³
envelope_diameter	100.7 Å
shell_rg	41.64 Å
envelope_rg	32.27 Å
shape_rg	32.35 Å
total_rg	33.01 Å
total_atoms	11076
n_residues	1432
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	99.3 Å
rg_real	32.71 Å
rg_real_error	0.42 Å
i0_real	3.9770e+08
i0_real_error	5.6280e+06
rg_reciprocal	32.84 Å
i0_reciprocal	397700000.0000
total_estimate	0.9028
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	45.5 Å
skewness	0.062
kurtosis	-0.545
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0001
highest_alpha	281400000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.932; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE
formula_weight	38953.5 kDa
ec_number	1.2.1.12
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	11076

APIKVGINGFGRIGRMVFQAICDQGLIGTEIDVVAVVDMSTNAEYFAYQMKHDTVHGRPKYTVEAVKSSPSVETADVLVVNGHRIKCVKAQRNPADLPWGKLGVDYVIESTGLFTDKLKAEGHIKGGAKKVVISAPASGGAKTIVMGVNQHEYSPASHHVVSNASCTTNCLAPIVHVLTKENFGIETGLMTTIHSYTATQKTVDGVSLKDWRGGRAAAVNIIPSTTGAAKAVGMVIPSTKGKLTGMSFRVPTPDVSVVDLTFRATRDTSIQEIDKAIKKAAQTYMKGILGFTDEELVSADFINDNRSSVYDSKATLQNNLPGEKRFFKVVSWYDNEWAYSHRVVDLVRYMAAKDAASSKM

Source

organism	Leishmania mexicana
ncbi_taxonomy_id	5665
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	4

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6. Citations (2)

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length_a	67.900 Å
length_b	81.000 Å
length_c	131.900 Å
angle_alpha	90.00 °
angle_beta	95.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.800 Å
resolution_low	8.000 Å
r_factor	0.2170
r_work	0.2170
r_free	0.2920

fit	/app/data/saxs_computation/a7/1a7k/1a7k.fit
pddf	/app/data/pr_computation/a7/1a7k/1a7k.pr.out
profile	/app/data/saxs_computation/a7/1a7k/1a7k.dat

GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN A MONOCLINIC CRYSTAL FORM

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