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1brw

THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION

Method: X-RAY DIFFRACTION D_max: 110.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1brw
deposition_date	1998-08-25
title	THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION
keywords	NUCLEOSIDE PHOSPHORYLASE, DOMAIN MOVEMENT, 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	33.85 Å
rg_electron	33.55 Å
i0	133171000.00
molecular_weight	92712.0 kDa
excluded_volume	116470 Å³
envelope_volume	145980 Å³
shell_volume	37692 Å³
envelope_diameter	110.9 Å
shell_rg	39.05 Å
envelope_rg	33.32 Å
shape_rg	33.60 Å
total_rg	33.80 Å
total_atoms	6482
n_residues	866
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	110.8 Å
rg_real	34.00 Å
rg_real_error	0.86 Å
i0_real	1.3320e+08
i0_real_error	2.2170e+06
rg_reciprocal	33.91 Å
i0_reciprocal	133200000.0000
total_estimate	0.8498
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.6 Å
skewness	0.424
kurtosis	-0.609
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	44820000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.792; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.831; Smooth: 0.837

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PROTEIN (PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE)
formula_weight	46063.2 kDa
ec_number	2.4.2.2
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6592

MRMVDLIAKKRDGKALTKEEIEWIVRGYTNGDIPDYQMSALAMAIYFRGMTEEETAALTMAMVQSGEMLDLSSIRGVKVDKHSTGGVGDTTTLVLGPLVASVGVPVAKMSGRGLGHTGGTIDKLESVPGFHVEISKDEFIRLVNENGIAIIGQTGDLTPADKKLYALRDVTATVNSIPLIASSIMSKKIAAGADAIVLDVKTGAGAFMKKLDEARRLARVMVDIGKRVGRRTMAVISDMSQPLGYAVGNALEVKEAIETLKGNGPHDLTELCLTLGSHMVYLAEKAPSLDEARRLLEEAIRSGAAIAAFKTFLAAQGGDASVVDDLDKLPKAAYTSTVTAAADGYVAEMAADDIGTAAMWLGAGRAKKEDVIDLAVGIVLHKKIGDRVQKGEALATIHSNRPDVLDVKEKIEAAIRLSPQPVARPPLIYETIV

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
formula_weight	195.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	URACIL
formula_weight	112.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	110

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6. Citations (1)

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length_a	53.570 Å
length_b	70.450 Å
length_c	122.780 Å
angle_alpha	90.00 °
angle_beta	98.02 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	30.000 Å
r_factor	0.2320
r_work	0.2320
r_free	0.2760

fit	/app/data/saxs_computation/br/1brw/1brw.fit
pddf	/app/data/pr_computation/br/1brw/1brw.pr.out
profile	/app/data/saxs_computation/br/1brw/1brw.dat