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1dqn

CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION STATE ANALOGUE

Method: X-RAY DIFFRACTION D_max: 74.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dqn
deposition_date	2000-01-04
title	CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION STATE ANALOGUE
keywords	protein-inhibitor complex, Mg ions, pyrophosphate, transition state analogue, 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	23.12 Å
rg_electron	21.85 Å
i0	47335500.00
molecular_weight	53715.0 kDa
excluded_volume	67402 Å³
envelope_volume	79310 Å³
shell_volume	28838 Å³
envelope_diameter	74.7 Å
shell_rg	29.73 Å
envelope_rg	22.28 Å
shape_rg	21.84 Å
total_rg	22.82 Å
total_atoms	3778
n_residues	460
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	74.6 Å
rg_real	22.95 Å
rg_real_error	0.35 Å
i0_real	4.7340e+07
i0_real_error	5.5260e+05
rg_reciprocal	22.99 Å
i0_reciprocal	47340000.0000
total_estimate	0.8845
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	28.7 Å
skewness	0.101
kurtosis	-0.465
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	15100000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.836; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	GUANINE PHOSPHORIBOSYLTRANSFERASE
formula_weight	26367.3 kDa
ec_number	2.4.2.8
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4254

MICSVTGKPVKDVLSTFFKDRNDVLESEVKKFHLLATFEECKALAADTARRMNEYYKDVAEPVTLVALLTGAYLYASLLTVHLTFPYTLHFVKVSSYKGTRQESVVFDEEDLKQLKEKREVVLIDEYVDSGHTIFSIQEQIKHAKICSCFVKDVDAIKKHSALADTKMFYGYTPMPKGSWLIGFGLDDNGLRRGWAHLFDINLSESEVTEFRRRLTEHIKGLNINGVNRY

Source

organism	Giardia intestinalis
ncbi_taxonomy_id	5741
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER
formula_weight	361.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	PYROPHOSPHATE 2-
formula_weight	176.0 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	ISOPROPYL ALCOHOL
formula_weight	60.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	476

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6. Citations (1)

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length_a	56.632 Å
length_b	71.553 Å
length_c	123.080 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.750 Å
resolution_low	20.000 Å
r_factor	0.2070
r_work	0.2040
r_free	0.2340

fit	/app/data/saxs_computation/dq/1dqn/1dqn.fit
pddf	/app/data/pr_computation/dq/1dqn/1dqn.pr.out
profile	/app/data/saxs_computation/dq/1dqn/1dqn.dat