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1b9d

MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY

Method: X-RAY DIFFRACTION D_max: 51.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b9d
deposition_date	1999-02-11
title	MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
keywords	DNA INTEGRATION, 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	16.26 Å
rg_electron	15.08 Å
i0	4871190.00
molecular_weight	15729.0 kDa
excluded_volume	19653 Å³
envelope_volume	22601 Å³
shell_volume	12929 Å³
envelope_diameter	51.2 Å
shell_rg	20.59 Å
envelope_rg	15.37 Å
shape_rg	15.09 Å
total_rg	16.11 Å
total_atoms	1099
n_residues	143
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	51.7 Å
rg_real	16.18 Å
rg_real_error	0.28 Å
i0_real	4.8710e+06
i0_real_error	5.7160e+04
rg_reciprocal	16.19 Å
i0_reciprocal	4871000.0000
total_estimate	0.9009
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	51.0 Å
skewness	0.174
kurtosis	-0.424
angular_range	— – 0.4900 Å⁻¹
current_alpha	0.0000
highest_alpha	767400.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.905; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (INTEGRASE)
formula_weight	17912.5 kDa
ec_number	2.7.7.49
mutation	F185K
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1242

MHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRKGGIGGYSAGERIVDIIATDIQTKE

Source

organism	Human immunodeficiency virus
ncbi_taxonomy_id	11676
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	CACODYLATE ION
formula_weight	137.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	110

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6. Citations (1)

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length_a	72.350 Å
length_b	72.350 Å
length_c	65.720 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	1.700 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2240
r_free	0.2780

fit	/app/data/saxs_computation/b9/1b9d/1b9d.fit
pddf	/app/data/pr_computation/b9/1b9d/1b9d.pr.out
profile	/app/data/saxs_computation/b9/1b9d/1b9d.dat

MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY

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