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1evz

CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH NAD

Method: X-RAY DIFFRACTION D_max: 69.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1evz
deposition_date	2000-04-21
title	CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH NAD
keywords	Dehydrogenase, Rossmann fold, 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	21.42 Å
rg_electron	20.41 Å
i0	23232900.00
molecular_weight	37974.0 kDa
excluded_volume	48167 Å³
envelope_volume	55278 Å³
shell_volume	22421 Å³
envelope_diameter	70.9 Å
shell_rg	27.12 Å
envelope_rg	20.75 Å
shape_rg	20.41 Å
total_rg	21.31 Å
total_atoms	2661
n_residues	346
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	69.1 Å
rg_real	21.35 Å
rg_real_error	0.36 Å
i0_real	2.3230e+07
i0_real_error	2.8970e+05
rg_reciprocal	21.36 Å
i0_reciprocal	23230000.0000
total_estimate	0.8931
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.4 Å
skewness	0.288
kurtosis	-0.349
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	5348000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.869; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	GLYCEROL-3-PHOSPHATE DEHYDROGENASE
formula_weight	39317.8 kDa
ec_number	1.1.1.8
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2741

MSTKQHSAKDELLYLNKAVVFGSGAFGTALAMVLSKKCREVCVWHMNEEEVRLVNEKRENVLFLKGVQLASNITFTSDVEKAYNGAEIILFVIPTQFLRGFFEKSGGNLIAYAKEKQVPVLVCTKGIERSTLKFPAEIIGEFLPSPLLSVLAGPSFAIEVATGVFTCVSIASADINVARRLQRIMSTGDRSFVCWATTDTVGCEVASAVKNVLAIGSGVANGLGMGLNARAALIMRGLLEIRDLTAALGGDGSAVFGLAGLGDLQLTCSSELSRNFTVGKKLGKGLPIEEIQRTSKAVAEGVATADPLMRLAKQLKVKMPLCHQIYEIVYKKKNPRDALADLLSCGLQDEGLPPLFKRSASTPSKL

Source

organism	Leishmania mexicana
ncbi_taxonomy_id	5665
host_organism	Escherichia coli

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PENTADECANE
formula_weight	212.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	80

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6. Citations (1)

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length_a	69.850 Å
length_b	69.850 Å
length_c	211.880 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.800 Å
resolution_low	20.000 Å
r_factor	0.1830
r_work	0.1830
r_free	0.2550

fit	/app/data/saxs_computation/ev/1evz/1evz.fit
pddf	/app/data/pr_computation/ev/1evz/1evz.pr.out
profile	/app/data/saxs_computation/ev/1evz/1evz.dat

CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH NAD

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