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1b8o

PURINE NUCLEOSIDE PHOSPHORYLASE

Method: X-RAY DIFFRACTION D_max: 61.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b8o
deposition_date	1999-02-02
title	PURINE NUCLEOSIDE PHOSPHORYLASE
keywords	PENTOSYLTRANSFERASE, PURINE NUCLEOSIDE PHOSPHORYLASE, TRANSFERASE; 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	19.21 Å
rg_electron	18.03 Å
i0	17942500.00
molecular_weight	31562.0 kDa
excluded_volume	39209 Å³
envelope_volume	43673 Å³
shell_volume	19922 Å³
envelope_diameter	62.8 Å
shell_rg	24.69 Å
envelope_rg	18.33 Å
shape_rg	18.05 Å
total_rg	18.88 Å
total_atoms	2217
n_residues	280
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	61.9 Å
rg_real	19.10 Å
rg_real_error	0.44 Å
i0_real	1.7940e+07
i0_real_error	2.4080e+05
rg_reciprocal	19.11 Å
i0_reciprocal	17940000.0000
total_estimate	0.8064
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.1 Å
skewness	0.202
kurtosis	-0.292
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	4297000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.828; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PURINE NUCLEOSIDE PHOSPHORYLASE
formula_weight	31687.1 kDa
ec_number	2.4.2.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2421

MQNGYTYEDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPESTVPGHAGRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESQGKANHEEVLEAGKQAAQKLEQFVSLLMASIPV

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL
formula_weight	266.3 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	197

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6. Citations (2)

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length_a	92.683 Å
length_b	92.683 Å
length_c	92.683 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	1.500 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1840
r_free	0.2320

fit	/app/data/saxs_computation/b8/1b8o/1b8o.fit
pddf	/app/data/pr_computation/b8/1b8o/1b8o.pr.out
profile	/app/data/saxs_computation/b8/1b8o/1b8o.dat

PURINE NUCLEOSIDE PHOSPHORYLASE

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