← Back to search

1a95

XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE

Method: X-RAY DIFFRACTION D_max: 84.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1a95
deposition_date	1998-04-16
title	XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE
keywords	PHOSPHORIBOSYLTRANSFERASE, TRANSFERASE, PURINE SALVAGE ENZYME, GLYCOSYLTRANSFERASE; PHOSPHORIBOSYLTRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	27.33 Å
rg_electron	26.05 Å
i0	68635200.00
molecular_weight	65038.0 kDa
excluded_volume	81641 Å³
envelope_volume	99263 Å³
shell_volume	31488 Å³
envelope_diameter	88.9 Å
shell_rg	33.64 Å
envelope_rg	26.23 Å
shape_rg	26.06 Å
total_rg	26.84 Å
total_atoms	4576
n_residues	590
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

▼

3. P(r) Analysis (GNOM)

dmax	84.0 Å
rg_real	27.28 Å
rg_real_error	0.54 Å
i0_real	6.8640e+07
i0_real_error	9.6280e+05
rg_reciprocal	27.30 Å
i0_reciprocal	68640000.0000
total_estimate	0.9071
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.9 Å
skewness	0.274
kurtosis	-0.566
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	19900000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.947; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.952

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

description	XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
formula_weight	16991.6 kDa
ec_number	2.4.2.22
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	4734

MSEKYIVTWDMLQIHARKLASRLMPSEQWKGIIAVSRGGLVPGALLARELGIRHVDTVCISSYDHDNQRELKVLKRAEGDGEGFIVIDDLVDTGGTAVAIREMYPKAHFVTIFAKPAGRPLVDDYVVDIPQDTWIEQPWDMGVVFVPPISGR

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	2

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE
formula_weight	388.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	GUANINE
formula_weight	151.1 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	136

▶

6. Citations (1)

▶

length_a	94.200 Å
length_b	94.200 Å
length_c	165.900 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	2.000 Å
resolution_low	50.000 Å
r_factor	0.2070
r_work	0.2070
r_free	0.2320

fit	/app/data/saxs_computation/a9/1a95/1a95.fit
pddf	/app/data/pr_computation/a9/1a95/1a95.pr.out
profile	/app/data/saxs_computation/a9/1a95/1a95.dat