SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH BENZENE HEXACARBOXYLATE

Method: X-RAY DIFFRACTION D_max: 98.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bq4
deposition_date	1998-08-20
title	SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH BENZENE HEXACARBOXYLATE
keywords	ISOMERASE, TRANSFERASE (PHOSPHORYL), GLYCOLYTIC ENZYME; 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	30.69 Å
rg_electron	29.58 Å
i0	170669000.00
molecular_weight	106350.0 kDa
excluded_volume	134320 Å³
envelope_volume	163160 Å³
shell_volume	44514 Å³
envelope_diameter	104.1 Å
shell_rg	38.01 Å
envelope_rg	29.70 Å
shape_rg	29.58 Å
total_rg	30.36 Å
total_atoms	7521
n_residues	938
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	98.1 Å
rg_real	30.53 Å
rg_real_error	0.62 Å
i0_real	1.7070e+08
i0_real_error	2.5740e+06
rg_reciprocal	30.60 Å
i0_reciprocal	170700000.0000
total_estimate	0.8978
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	39.6 Å
skewness	0.158
kurtosis	-0.444
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	51750000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.894; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (3)

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length_a	82.510 Å
length_b	92.520 Å
length_c	148.050 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.500 Å
resolution_low	30.000 Å
r_factor	0.2040
r_work	0.2040
r_free	0.2540

description	PROTEIN (PHOSPHOGLYCERATE MUTASE 1)
formula_weight	27517.4 kDa
ec_number	5.4.2.1
src_method	nat
entity_count	4

type	polypeptide(L)
strand_id	D,C,A,B
atom_count	7521

SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH BENZENE HEXACARBOXYLATE

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 non-polymer

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

description	BENZENE HEXACARBOXYLIC ACID
formula_weight	342.2 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/bq/1bq4/1bq4.fit
pddf	/app/data/pr_computation/bq/1bq4/1bq4.pr.out
profile	/app/data/saxs_computation/bq/1bq4/1bq4.dat