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1bd4

UPRT-URACIL COMPLEX

Method: X-RAY DIFFRACTION D_max: 86.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bd4
deposition_date	1998-05-12
title	UPRT-URACIL COMPLEX
keywords	TRANSFERASE, UPRT, URACIL, GLYCOSYLTRANSFERASE, COMPLEX; 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	29.49 Å
rg_electron	28.31 Å
i0	163592000.00
molecular_weight	103260.0 kDa
excluded_volume	130450 Å³
envelope_volume	156380 Å³
shell_volume	44027 Å³
envelope_diameter	91.4 Å
shell_rg	37.34 Å
envelope_rg	28.16 Å
shape_rg	28.33 Å
total_rg	29.14 Å
total_atoms	7224
n_residues	896
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	86.9 Å
rg_real	29.29 Å
rg_real_error	0.45 Å
i0_real	1.6360e+08
i0_real_error	2.2540e+06
rg_reciprocal	29.38 Å
i0_reciprocal	163600000.0000
total_estimate	0.9070
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	38.6 Å
skewness	0.102
kurtosis	-0.519
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	50570000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.957; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.944

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	URACIL PHOSPHORIBOSYLTRANSFERASE
formula_weight	27558.2 kDa
ec_number	2.4.2.9
mutation	C128V
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	D,C,B,A
atom_count	7464

AQVPASGKLLVDPRYSTNDQEESILQDIITRFPNVVLMKQTAQLRAMMTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFGTM

Source

organism	Toxoplasma gondii
ncbi_taxonomy_id	5811
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	URACIL
formula_weight	112.1 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	240

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6. Citations (1)

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length_a	60.390 Å
length_b	141.770 Å
length_c	71.460 Å
angle_alpha	90.00 °
angle_beta	114.82 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.200 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1940
r_free	—

fit	/app/data/saxs_computation/bd/1bd4/1bd4.fit
pddf	/app/data/pr_computation/bd/1bd4/1bd4.pr.out
profile	/app/data/saxs_computation/bd/1bd4/1bd4.dat

UPRT-URACIL 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