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1a9t

BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH 9-DEAZAINOSINE AND PHOSPHATE

Method: X-RAY DIFFRACTION D_max: 63.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a9t
deposition_date	1998-04-10
title	BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH 9-DEAZAINOSINE AND PHOSPHATE
keywords	TRANSFERASE, GLYCOSYLTRANSFERASE, PENTOSYLTRANSFERASE, PURINE NUCLEOSIDE PHOSPHORYLASE; TRANSFERASE
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	19.40 Å
rg_electron	18.19 Å
i0	18332900.00
molecular_weight	31896.0 kDa
excluded_volume	39624 Å³
envelope_volume	45072 Å³
shell_volume	20315 Å³
envelope_diameter	64.2 Å
shell_rg	25.05 Å
envelope_rg	18.52 Å
shape_rg	18.20 Å
total_rg	19.09 Å
total_atoms	2239
n_residues	284
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	63.5 Å
rg_real	19.28 Å
rg_real_error	0.30 Å
i0_real	1.8330e+07
i0_real_error	2.1520e+05
rg_reciprocal	19.30 Å
i0_reciprocal	18330000.0000
total_estimate	0.8807
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	62.6 Å
skewness	0.199
kurtosis	-0.303
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	4697000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.996

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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	31568.0 kDa
ec_number	2.4.2.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2295

MANGYTYEDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPESTVPGHAGRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDTESQGKANHEEVLEAGKQAAQKLEQFVSLLMASIPV

Entity 2 non-polymer

description	1-O-phosphono-alpha-D-ribofuranose
formula_weight	230.1 kDa
src_method	man
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	56

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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/a9/1a9t/1a9t.fit
pddf	/app/data/pr_computation/a9/1a9t/1a9t.pr.out
profile	/app/data/saxs_computation/a9/1a9t/1a9t.dat

BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH 9-DEAZAINOSINE AND PHOSPHATE

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