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1dqp

CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH IMMUCILLING

Method: X-RAY DIFFRACTION D_max: 72.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dqp
deposition_date	2000-01-04
title	CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH IMMUCILLING
keywords	protein-inhibitor complex, immucillinG, 9-deazaguanine, 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	23.41 Å
rg_electron	22.00 Å
i0	44661100.00
molecular_weight	53012.0 kDa
excluded_volume	66962 Å³
envelope_volume	79385 Å³
shell_volume	28771 Å³
envelope_diameter	74.9 Å
shell_rg	29.89 Å
envelope_rg	22.39 Å
shape_rg	21.97 Å
total_rg	23.06 Å
total_atoms	3739
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	72.6 Å
rg_real	23.23 Å
rg_real_error	0.29 Å
i0_real	4.4660e+07
i0_real_error	5.4150e+05
rg_reciprocal	23.28 Å
i0_reciprocal	44660000.0000
total_estimate	0.8954
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.2 Å
skewness	0.092
kurtosis	-0.478
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	15570000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.896; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.969

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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	4224

MICSVTGKPVKDVLSTFFKDRNDVLESEVKKFHLLATFEECKALAADTARRMNEYYKDVAEPVTLVALLTGAYLYASLLTVHLTFPYTLHFVKVSSYKGTRQESVVFDEEDLKQLKEKREVVLIDEYVDSGHTIFSIQEQIKHAKICSCFVKDVDAIKKHSALADTKMFYGYTPMPKGSWLIGFGLDDNGLRRGWAHLFDINLSESEVTEFRRRLTEHIKGLNINGVNRY

Source

organism	Giardia intestinalis
ncbi_taxonomy_id	5741
host_organism	Escherichia coli

Entity 2 non-polymer

description	1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL
formula_weight	281.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	ISOPROPYL ALCOHOL
formula_weight	60.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	485

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6. Citations (1)

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length_a	56.860 Å
length_b	71.610 Å
length_c	122.369 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	0.2320

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

CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH IMMUCILLING

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