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1a53

COMPLEX OF INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS WITH INDOLE-3-GLYCEROLPHOSPHATE AT 2.0 A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 54.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a53
deposition_date	1998-02-19
title	COMPLEX OF INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS WITH INDOLE-3-GLYCEROLPHOSPHATE AT 2.0 A RESOLUTION
keywords	SYNTHASE, THERMOSTABLE, TIM-BARREL; SYNTHASE
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	18.25 Å
rg_electron	16.87 Å
i0	13819800.00
molecular_weight	28744.0 kDa
excluded_volume	36395 Å³
envelope_volume	40186 Å³
shell_volume	19218 Å³
envelope_diameter	55.3 Å
shell_rg	23.76 Å
envelope_rg	17.12 Å
shape_rg	16.87 Å
total_rg	17.91 Å
total_atoms	2022
n_residues	247
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	54.3 Å
rg_real	18.09 Å
rg_real_error	0.17 Å
i0_real	1.3820e+07
i0_real_error	1.4830e+05
rg_reciprocal	18.11 Å
i0_reciprocal	13820000.0000
total_estimate	0.8225
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.9 Å
skewness	0.009
kurtosis	-0.493
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0000
highest_alpha	5940000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.908; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE
formula_weight	28494.9 kDa
ec_number	4.1.1.48
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2264

PRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAEYKRKSPSGLDVERDPIEYSKFMERYAVGLSILTEEKYFNGSYETLRKIASSVSIPILMKDFIVKESQIDDAYNLGADTVLLIVKILTERELESLLEYARSYGMEPLIEINDENDLDIALRIGARFIGINSRDLETLEINKENQRKLISMIPSNVVKVAESGISERNEIEELRKLGVNAFLIGSSLMRNPEKIKEFIL

Source

organism	Sulfolobus solfataricus
ncbi_taxonomy_id	2287
host_organism	Escherichia coli str. K12 substr. W3110

Entity 2 non-polymer

description	INDOLE-3-GLYCEROL PHOSPHATE
formula_weight	287.2 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	242

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6. Citations (2)

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length_a	57.900 Å
length_b	73.800 Å
length_c	104.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	15.000 Å
r_factor	0.1590
r_work	0.1590
r_free	0.2120

fit	/app/data/saxs_computation/a5/1a53/1a53.fit
pddf	/app/data/pr_computation/a5/1a53/1a53.pr.out
profile	/app/data/saxs_computation/a5/1a53/1a53.dat

COMPLEX OF INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS WITH INDOLE-3-GLYCEROLPHOSPHATE AT 2.0 A RESOLUTION

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