SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE

Method: X-RAY DIFFRACTION D_max: 98.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bq3
deposition_date	1998-08-20
title	SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE
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	30.95 Å
rg_electron	29.77 Å
i0	180104000.00
molecular_weight	107420.0 kDa
excluded_volume	134930 Å³
envelope_volume	164320 Å³
shell_volume	44732 Å³
envelope_diameter	104.0 Å
shell_rg	37.99 Å
envelope_rg	29.76 Å
shape_rg	29.74 Å
total_rg	30.56 Å
total_atoms	7574
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	98.4 Å
rg_real	30.78 Å
rg_real_error	0.70 Å
i0_real	1.8010e+08
i0_real_error	2.7820e+06
rg_reciprocal	30.86 Å
i0_reciprocal	180100000.0000
total_estimate	0.9003
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	40.5 Å
skewness	0.144
kurtosis	-0.463
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	45530000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.903; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.991

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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	82.580 Å
length_b	93.380 Å
length_c	148.560 Å
angle_alpha	90.00 °
angle_beta	90.13 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.700 Å
resolution_low	30.000 Å
r_factor	0.2000
r_work	0.2000
r_free	0.2400

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	7574

SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE

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	INOSITOL HEXAKISPHOSPHATE
formula_weight	660.0 kDa
src_method	syn
entity_count	2

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

fit	/app/data/saxs_computation/bq/1bq3/1bq3.fit
pddf	/app/data/pr_computation/bq/1bq3/1bq3.pr.out
profile	/app/data/saxs_computation/bq/1bq3/1bq3.dat