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1e59

E.coli cofactor-dependent phosphoglycerate mutase complexed with vanadate

Method: X-RAY DIFFRACTION D_max: 59.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e59
deposition_date	2000-07-19
title	E.coli cofactor-dependent phosphoglycerate mutase complexed with vanadate
keywords	INHIBITOR, VANDATE, GLYCOLYSIS AND GLUCONEOGENESIS, PHOSPHOGLYCERATE MUTASE, ISOMERASE; 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	18.60 Å
rg_electron	17.59 Å
i0	13782000.00
molecular_weight	27910.0 kDa
excluded_volume	34894 Å³
envelope_volume	39650 Å³
shell_volume	18627 Å³
envelope_diameter	59.7 Å
shell_rg	24.00 Å
envelope_rg	17.89 Å
shape_rg	17.61 Å
total_rg	18.47 Å
total_atoms	1963
n_residues	239
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	59.5 Å
rg_real	18.50 Å
rg_real_error	0.23 Å
i0_real	1.3780e+07
i0_real_error	1.4420e+05
rg_reciprocal	18.51 Å
i0_reciprocal	13780000.0000
total_estimate	0.8922
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.6 Å
skewness	0.203
kurtosis	-0.354
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	3363000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.867; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PHOSPHOGLYCERATE MUTASE
formula_weight	28465.2 kDa
ec_number	5.4.2.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2245

AVTKLVLVRHGESQWNKENRFTGWYDVDLSEKGVSEAKAAGKLLKEEGYSFDFAYTSVLKRAIHTLWNVLDELDQAWLPVEKSWKLNERHYGALQGLNKAETAEKYGDEQVKQWRRGFAVTPPELTKDDERYPGHDPRYAKLSEKELPLTESLALTIDRVIPYWNETILPRMKSGERVIIAAHGNSLRALVKYLDNMSEEEILELNIPTGVPLVYEFDENFKPLKRYYLGNADEIAAKAAAVANQGKAK

Source

organism	ESCHERICHIA COLI
ncbi_taxonomy_id	83333
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	TETRAMETAVANADATE
formula_weight	411.8 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	264

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6. Citations (1)

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length_a	61.249 Å
length_b	112.142 Å
length_c	40.948 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.300 Å
resolution_low	30.000 Å
r_factor	0.1552
r_work	—
r_free	0.2134

fit	/app/data/saxs_computation/e5/1e59/1e59.fit
pddf	/app/data/pr_computation/e5/1e59/1e59.pr.out
profile	/app/data/saxs_computation/e5/1e59/1e59.dat

E.coli cofactor-dependent phosphoglycerate mutase complexed with vanadate

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