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1duc

EIAV DUTPASE DUDP/STRONTIUM COMPLEX

Method: X-RAY DIFFRACTION D_max: 65.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1duc
deposition_date	1997-11-29
title	EIAV DUTPASE DUDP/STRONTIUM COMPLEX
keywords	HYDROLASE, DUTPASE, EIAV, TRIMERIC ENZYME, INHIBITOR COMPLEX, ASPARTYL PROTEASE; HYDROLASE
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	17.92 Å
rg_electron	16.75 Å
i0	3855820.00
molecular_weight	13559.0 kDa
excluded_volume	16853 Å³
envelope_volume	21672 Å³
shell_volume	11967 Å³
envelope_diameter	64.6 Å
shell_rg	21.44 Å
envelope_rg	17.89 Å
shape_rg	16.78 Å
total_rg	17.60 Å
total_atoms	944
n_residues	118
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	65.2 Å
rg_real	18.11 Å
rg_real_error	0.52 Å
i0_real	3.8560e+06
i0_real_error	5.2050e+04
rg_reciprocal	18.08 Å
i0_reciprocal	3856000.0000
total_estimate	0.8148
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	18.5 Å
skewness	0.626
kurtosis	0.140
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.0000
highest_alpha	560600.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.595; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.830; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE ;
formula_weight	14784.8 kDa
ec_number	3.6.1.23
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1043

MLAYQGTQIKEKRDEDAGFDLCVPYDIMIPVSDTKIIPTDVKIQVPPNSFGWVTGKSSMAKQGLLINGGIIDEGYTGEIQVICTNIGKSNIKLIEGQKFAQLIILQHHSNSRQPWDENKISQRGDKGFGSTGVF

Source

organism	Equine infectious anemia virus
ncbi_taxonomy_id	11665
host_organism	Escherichia coli

Entity 2 non-polymer

description	STRONTIUM ION
formula_weight	87.6 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	DEOXYURIDINE-5'-DIPHOSPHATE
formula_weight	388.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	80

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6. Citations (1)

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length_a	106.700 Å
length_b	106.700 Å
length_c	106.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 41 3 2
int_tables_number	213
crystal_system	—

resolution	2.050 Å
resolution_low	20.000 Å
r_factor	0.1680
r_work	0.1670
r_free	0.2010

fit	/app/data/saxs_computation/du/1duc/1duc.fit
pddf	/app/data/pr_computation/du/1duc/1duc.pr.out
profile	/app/data/saxs_computation/du/1duc/1duc.dat

EIAV DUTPASE DUDP/STRONTIUM COMPLEX

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