← Back to search

1b93

METHYLGLYOXAL SYNTHASE FROM ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 77.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1b93
deposition_date	1999-02-23
title	METHYLGLYOXAL SYNTHASE FROM ESCHERICHIA COLI
keywords	GLYCOLYTIC BYPASS, METHYLGLYOXAL, LYASE; LYASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	24.27 Å
rg_electron	23.18 Å
i0	39052300.00
molecular_weight	48651.0 kDa
excluded_volume	61085 Å³
envelope_volume	71371 Å³
shell_volume	25927 Å³
envelope_diameter	78.8 Å
shell_rg	30.15 Å
envelope_rg	23.34 Å
shape_rg	23.18 Å
total_rg	24.01 Å
total_atoms	3422
n_residues	443
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

▼

3. P(r) Analysis (GNOM)

dmax	77.6 Å
rg_real	24.24 Å
rg_real_error	0.43 Å
i0_real	3.9050e+07
i0_real_error	4.6540e+05
rg_reciprocal	24.25 Å
i0_reciprocal	39050000.0000
total_estimate	0.8992
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.3 Å
skewness	0.336
kurtosis	-0.348
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	7703000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.900; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.992

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (METHYLGLYOXAL SYNTHASE)
formula_weight	16937.5 kDa
ec_number	4.2.3.3
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	3639

MELTTRTLPARKHIALVAHDHCKQMLMSWVERHQPLLEQHVLYATGTTGNLISRATGMNVNAMLSGPMGGDQQVGALISEGKIDVLIFFWDPLNAVPHDPDVKALLRLATVWNIPVATNVATADFIIQSPHFNDAVDILIPDYQRYLADRLK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	7

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	217

▶

6. Citations (1)

▶

length_a	123.340 Å
length_b	123.340 Å
length_c	155.980 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	36

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	1.900 Å
resolution_low	30.000 Å
r_factor	0.1810
r_work	0.1810
r_free	0.2020

fit	/app/data/saxs_computation/b9/1b93/1b93.fit
pddf	/app/data/pr_computation/b9/1b93/1b93.pr.out
profile	/app/data/saxs_computation/b9/1b93/1b93.dat

METHYLGLYOXAL SYNTHASE FROM ESCHERICHIA COLI

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