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1a9r

BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH HYPOXANTHINE AND SULFATE

Method: X-RAY DIFFRACTION D_max: 63.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a9r
deposition_date	1998-04-10
title	BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH HYPOXANTHINE AND SULFATE
keywords	PENTOSYLTRANSFERASE, PURINE NUCLEOSIDE PHOSPHORYLASE; PENTOSYLTRANSFERASE
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	19.51 Å
rg_electron	18.32 Å
i0	18005400.00
molecular_weight	31458.0 kDa
excluded_volume	39010 Å³
envelope_volume	44692 Å³
shell_volume	20182 Å³
envelope_diameter	64.7 Å
shell_rg	24.93 Å
envelope_rg	18.50 Å
shape_rg	18.33 Å
total_rg	19.17 Å
total_atoms	2209
n_residues	282
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	63.6 Å
rg_real	19.38 Å
rg_real_error	0.32 Å
i0_real	1.8010e+07
i0_real_error	2.1260e+05
rg_reciprocal	19.40 Å
i0_reciprocal	18010000.0000
total_estimate	0.8061
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.195
kurtosis	-0.318
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	4526000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.826; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PURINE NUCLEOSIDE PHOSPHORYLASE
formula_weight	31428.8 kDa
ec_number	2.4.2.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2264

MQNGYTYEDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPESTVPGHAGRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDTESQGKANHEEVLEAGKQAAQKLEQFVSLLMASI

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	HYPOXANTHINE
formula_weight	136.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	55

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6. Citations (1)

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length_a	94.200 Å
length_b	94.200 Å
length_c	94.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 3
int_tables_number	198
crystal_system	—

resolution	2.000 Å
resolution_low	8.000 Å
r_factor	0.1900
r_work	0.1900
r_free	—

fit	/app/data/saxs_computation/a9/1a9r/1a9r.fit
pddf	/app/data/pr_computation/a9/1a9r/1a9r.pr.out
profile	/app/data/saxs_computation/a9/1a9r/1a9r.dat

BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH HYPOXANTHINE AND SULFATE

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