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1ex4

HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN

Method: X-RAY DIFFRACTION D_max: 92.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ex4
deposition_date	2000-04-28
title	HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN
keywords	SH3-like domain, nonspecific DNA binding beta sheet, cis-proline, 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	28.56 Å
rg_electron	28.44 Å
i0	35174100.00
molecular_weight	47825.0 kDa
excluded_volume	60853 Å³
envelope_volume	79622 Å³
shell_volume	25338 Å³
envelope_diameter	95.0 Å
shell_rg	32.56 Å
envelope_rg	28.61 Å
shape_rg	28.42 Å
total_rg	28.97 Å
total_atoms	3371
n_residues	416
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	92.1 Å
rg_real	28.70 Å
rg_real_error	0.63 Å
i0_real	3.5170e+07
i0_real_error	5.2840e+05
rg_reciprocal	28.66 Å
i0_reciprocal	35170000.0000
total_estimate	0.8747
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	28.0 Å
skewness	0.359
kurtosis	-0.635
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	4329000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.873; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.873; Smooth: 0.873

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	INTEGRASE
formula_weight	26427.0 kDa
mutation	C56S,W131D,F139D,F185K,C280S
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3450

GSGQVDSSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACDWAGIKQEDGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRNSLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDSVASRQDED

Source

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Escherichia coli

Entity 2 non-polymer

description	3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
formula_weight	614.9 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	79

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6. Citations (1)

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length_a	103.990 Å
length_b	103.990 Å
length_c	101.380 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 3 1 2
int_tables_number	149
crystal_system	—

resolution	2.800 Å
resolution_low	28.260 Å
r_factor	0.2580
r_work	0.2580
r_free	0.3060

fit	/app/data/saxs_computation/ex/1ex4/1ex4.fit
pddf	/app/data/pr_computation/ex/1ex4/1ex4.pr.out
profile	/app/data/saxs_computation/ex/1ex4/1ex4.dat

HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN

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