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1a96

XPRTASE FROM E. COLI WITH BOUND CPRPP AND XANTHINE

Method: X-RAY DIFFRACTION D_max: 83.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a96
deposition_date	1998-04-16
title	XPRTASE FROM E. COLI WITH BOUND CPRPP AND XANTHINE
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	27.32 Å
rg_electron	26.04 Å
i0	68471200.00
molecular_weight	64816.0 kDa
excluded_volume	81281 Å³
envelope_volume	98372 Å³
shell_volume	31287 Å³
envelope_diameter	87.5 Å
shell_rg	33.47 Å
envelope_rg	26.16 Å
shape_rg	26.05 Å
total_rg	26.80 Å
total_atoms	4561
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

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3. P(r) Analysis (GNOM)

dmax	83.4 Å
rg_real	27.27 Å
rg_real_error	0.57 Å
i0_real	6.8470e+07
i0_real_error	1.0480e+06
rg_reciprocal	27.29 Å
i0_reciprocal	68470000.0000
total_estimate	0.9077
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.8 Å
skewness	0.270
kurtosis	-0.574
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	19680000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.953; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.939

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4. Crystallography & Experiment

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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	4722

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	XANTHINE
formula_weight	152.1 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	142

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6. Citations (1)

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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	0.2180
r_work	0.2180
r_free	0.2440

fit	/app/data/saxs_computation/a9/1a96/1a96.fit
pddf	/app/data/pr_computation/a9/1a96/1a96.pr.out
profile	/app/data/saxs_computation/a9/1a96/1a96.dat