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1c3x

PURINE NUCLEOSIDE PHOSPHORYLASE FROM CELLULOMONAS SP. IN COMPLEX WITH 8-IODO-GUANINE

Method: X-RAY DIFFRACTION D_max: 90.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c3x
deposition_date	1999-07-29
title	PURINE NUCLEOSIDE PHOSPHORYLASE FROM CELLULOMONAS SP. IN COMPLEX WITH 8-IODO-GUANINE
keywords	ENZYME, 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	29.17 Å
rg_electron	28.22 Å
i0	119946000.00
molecular_weight	83672.0 kDa
excluded_volume	103560 Å³
envelope_volume	126010 Å³
shell_volume	37052 Å³
envelope_diameter	91.0 Å
shell_rg	35.92 Å
envelope_rg	28.25 Å
shape_rg	28.24 Å
total_rg	28.88 Å
total_atoms	5866
n_residues	798
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	90.3 Å
rg_real	29.07 Å
rg_real_error	0.46 Å
i0_real	1.1990e+08
i0_real_error	1.5980e+06
rg_reciprocal	29.12 Å
i0_reciprocal	120000000.0000
total_estimate	0.9089
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	35.1 Å
skewness	0.184
kurtosis	-0.581
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	30600000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.957; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.944

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PENTOSYLTRANSFERASE
formula_weight	27546.2 kDa
src_method	nat
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	6133

PPLDDPATDPFLVARAAADHIAQATGVEGHDMALVLGSGWGGAAELLGEVVAEVPTHEIPGFSSVTRSIRVERADGSVRHALVLGSRTHLYEGKGVRAVVHGVRTAAATGAETLILTNGCGGLNQEWGAGTPVLLSDHINLTARSPLEGPTFVDLTDVYSPRLRELAHRVDPTLPEGVYAQFPGPHYETPAEVRMAGILGADLVGMSTTLEAIAARHCGLEVLGVSLVTNLAAGISPTPLSHAEVIEAGQAAGPRISALLADIAKR

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	8-IODO-GUANINE
formula_weight	277.0 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	267

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6. Citations (1)

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length_a	63.319 Å
length_b	108.340 Å
length_c	117.562 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	44.000 Å
r_factor	0.2000
r_work	0.2000
r_free	0.2510

fit	/app/data/saxs_computation/c3/1c3x/1c3x.fit
pddf	/app/data/pr_computation/c3/1c3x/1c3x.pr.out
profile	/app/data/saxs_computation/c3/1c3x/1c3x.dat

PURINE NUCLEOSIDE PHOSPHORYLASE FROM CELLULOMONAS SP. IN COMPLEX WITH 8-IODO-GUANINE

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