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1a97

XPRTASE FROM E. COLI COMPLEXED WITH GMP

Method: X-RAY DIFFRACTION D_max: 83.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a97
deposition_date	1998-04-16
title	XPRTASE FROM E. COLI COMPLEXED WITH GMP
keywords	PHOSPHORIBOSYLTRANSFERASE, TRANSFERASE, PURINE SALVAGE ENZYME, GLYCOSYLTRANSFERASE; PHOSPHORIBOSYLTRANSFERASE
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	27.23 Å
rg_electron	25.86 Å
i0	62285500.00
molecular_weight	61890.0 kDa
excluded_volume	77567 Å³
envelope_volume	94807 Å³
shell_volume	30422 Å³
envelope_diameter	85.9 Å
shell_rg	33.26 Å
envelope_rg	26.02 Å
shape_rg	25.88 Å
total_rg	26.59 Å
total_atoms	4373
n_residues	581
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	83.1 Å
rg_real	27.19 Å
rg_real_error	0.54 Å
i0_real	6.2290e+07
i0_real_error	8.2840e+05
rg_reciprocal	27.21 Å
i0_reciprocal	62290000.0000
total_estimate	0.9048
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.7 Å
skewness	0.292
kurtosis	-0.554
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	16330000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.949; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.915

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
formula_weight	16527.0 kDa
ec_number	2.4.2.22
mutation	C59A
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	4421

EKYIVTWDMLQIHARKLASRLMPSEQWKGIIAVSRGGLVPGALLARELGIRHVDTVAISSYDHDNQRELKVLKRAEGDGEGFIVIDDLVDTGGTAVAIREMYPKAHFVTIFAKPAGRPLVDDYVVDIPQDTWIEQPWDMGVVFVPPIS

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	BORIC ACID
formula_weight	61.8 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	GUANOSINE-5'-MONOPHOSPHATE
formula_weight	363.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	48

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6. Citations (1)

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length_a	94.042 Å
length_b	94.042 Å
length_c	166.914 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.600 Å
resolution_low	50.000 Å
r_factor	0.2330
r_work	0.2330
r_free	0.2630

fit	/app/data/saxs_computation/a9/1a97/1a97.fit
pddf	/app/data/pr_computation/a9/1a97/1a97.pr.out
profile	/app/data/saxs_computation/a9/1a97/1a97.dat

XPRTASE FROM E. COLI COMPLEXED WITH GMP

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