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1exq

CRYSTAL STRUCTURE OF THE HIV-1 INTEGRASE CATALYTIC CORE DOMAIN

Method: X-RAY DIFFRACTION D_max: 57.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1exq
deposition_date	2000-05-03
title	CRYSTAL STRUCTURE OF THE HIV-1 INTEGRASE CATALYTIC CORE DOMAIN
keywords	HIV-1 integrase, polynucleotidyl transferase, DNA-binding protein, DD35E, Viral protein; VIRAL PROTEIN
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	19.33 Å
rg_electron	17.90 Å
i0	19582600.00
molecular_weight	32386.0 kDa
excluded_volume	39943 Å³
envelope_volume	45581 Å³
shell_volume	20628 Å³
envelope_diameter	59.0 Å
shell_rg	24.85 Å
envelope_rg	18.08 Å
shape_rg	17.85 Å
total_rg	18.97 Å
total_atoms	2243
n_residues	292
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	57.4 Å
rg_real	19.13 Å
rg_real_error	0.20 Å
i0_real	1.9580e+07
i0_real_error	1.8870e+05
rg_reciprocal	19.16 Å
i0_reciprocal	19580000.0000
total_estimate	0.8989
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	55.8 Å
skewness	-0.020
kurtosis	-0.541
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	4246000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.906; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.994

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	POL POLYPROTEIN
formula_weight	16733.0 kDa
mutation	C56S, W131D, F139D, F185K
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2342

SSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACDWAGIKQEDGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRKGGIGGYSAGERIVDIIATDIQ

Source

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Escherichia coli

Entity 2 non-polymer

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	99

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6. Citations (1)

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length_a	48.886 Å
length_b	48.886 Å
length_c	103.644 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32
int_tables_number	145
crystal_system	—

resolution	1.600 Å
resolution_low	22.110 Å
r_factor	0.2530
r_work	0.2530
r_free	0.2710

fit	/app/data/saxs_computation/ex/1exq/1exq.fit
pddf	/app/data/pr_computation/ex/1exq/1exq.pr.out
profile	/app/data/saxs_computation/ex/1exq/1exq.dat