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1bh5

HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT

Method: X-RAY DIFFRACTION D_max: 117.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bh5
deposition_date	1998-06-13
title	HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT
keywords	LYASE, LACTOYLGLUTATHIONE LYASE, GLYOXALASE I; LYASE
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	31.42 Å
rg_electron	31.02 Å
i0	108890000.00
molecular_weight	83014.0 kDa
excluded_volume	103860 Å³
envelope_volume	129980 Å³
shell_volume	35741 Å³
envelope_diameter	119.4 Å
shell_rg	37.12 Å
envelope_rg	31.28 Å
shape_rg	31.02 Å
total_rg	31.56 Å
total_atoms	5810
n_residues	718
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	117.1 Å
rg_real	31.60 Å
rg_real_error	1.19 Å
i0_real	1.0890e+08
i0_real_error	1.6750e+06
rg_reciprocal	31.52 Å
i0_reciprocal	108900000.0000
total_estimate	0.8069
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.4 Å
skewness	0.475
kurtosis	-0.377
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	40010000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.562; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.800; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	LACTOYLGLUTATHIONE LYASE
formula_weight	20672.5 kDa
ec_number	4.4.1.5
mutation	Q33E, E172Q
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	6317

AEPQPPSGGLTDEAALSCCSDADPSTKDFLLQETMLRVKDPKKSLDFYTRVLGMTLIQKCDFPIMKFSLYFLAYEDKNDIPKEKDEKIAWALSRKATLELTHNWGTEDDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKMKGLAFIQDPDGYWIQILNPNKMATLM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	S-HEXYLGLUTATHIONE
formula_weight	392.5 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	507

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6. Citations (1)

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length_a	67.280 Å
length_b	67.280 Å
length_c	164.730 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41
int_tables_number	76
crystal_system	—

resolution	2.200 Å
resolution_low	30.000 Å
r_factor	0.1900
r_work	0.1800
r_free	0.2500

fit	/app/data/saxs_computation/bh/1bh5/1bh5.fit
pddf	/app/data/pr_computation/bh/1bh5/1bh5.pr.out
profile	/app/data/saxs_computation/bh/1bh5/1bh5.dat

HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT

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