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1a5v

ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 AND MN CATION

Method: X-RAY DIFFRACTION D_max: 54.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a5v
deposition_date	1998-02-18
title	ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 AND MN CATION
keywords	HYDROLASE, ENDONUCLEASE, HIV-1 INTEGRASE INHIBITOR; HYDROLASE
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	16.57 Å
rg_electron	15.55 Å
i0	5396990.00
molecular_weight	16384.0 kDa
excluded_volume	20402 Å³
envelope_volume	23614 Å³
shell_volume	13150 Å³
envelope_diameter	56.3 Å
shell_rg	21.04 Å
envelope_rg	16.00 Å
shape_rg	15.52 Å
total_rg	16.67 Å
total_atoms	1148
n_residues	146
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	54.0 Å
rg_real	16.52 Å
rg_real_error	0.37 Å
i0_real	5.3970e+06
i0_real_error	6.3000e+04
rg_reciprocal	16.52 Å
i0_reciprocal	5397000.0000
total_estimate	0.8081
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	19.6 Å
skewness	0.270
kurtosis	-0.324
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	1117000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.835; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	INTEGRASE
formula_weight	17398.9 kDa
ec_number	2.7.7.49
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1320

PRGLGPLQIWQTDFTLEPRMAPRSWLAVTVDTASSAIVVTQHGRVTSVAAQHHWATAIAVLGRPKAIKTDNGSCFTSKSTREWLARWGIAHTTGIPGNSQGQAMVERANRLLKDKIRVLAEGDGFMKRIPTSKQGELLAKAMYALNHFERGENTKTNL

Source

organism	Rous sarcoma virus (strain Schmidt-Ruppin)
ncbi_taxonomy_id	11889
host_organism	Escherichia coli

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID
formula_weight	361.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	172

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6. Citations (1)

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length_a	66.444 Å
length_b	66.444 Å
length_c	81.065 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	1.900 Å
resolution_low	8.000 Å
r_factor	0.1520
r_work	0.1520
r_free	0.2100

fit	/app/data/saxs_computation/a5/1a5v/1a5v.fit
pddf	/app/data/pr_computation/a5/1a5v/1a5v.pr.out
profile	/app/data/saxs_computation/a5/1a5v/1a5v.dat

ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 AND MN CATION

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