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1b92

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

Method: X-RAY DIFFRACTION D_max: 53.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b92
deposition_date	1999-02-19
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	15.07 Å
i0	4927340.00
molecular_weight	15813.0 kDa
excluded_volume	19762 Å³
envelope_volume	22825 Å³
shell_volume	13017 Å³
envelope_diameter	51.1 Å
shell_rg	20.61 Å
envelope_rg	15.39 Å
shape_rg	15.09 Å
total_rg	16.13 Å
total_atoms	1105
n_residues	144
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	53.5 Å
rg_real	16.17 Å
rg_real_error	0.32 Å
i0_real	4.9270e+06
i0_real_error	5.5920e+04
rg_reciprocal	16.18 Å
i0_reciprocal	4927000.0000
total_estimate	0.6632
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	52.9 Å
skewness	0.176
kurtosis	-0.421
angular_range	— – 0.4900 Å⁻¹
current_alpha	0.0000
highest_alpha	812600.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 0.353; 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	PROTEIN (INTEGRASE)
formula_weight	17926.5 kDa
ec_number	2.7.7.49
mutation	F185K, G149A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1238

MHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQAVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRKGGIGGYSAGERIVDIIATDIQTKE

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	100

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6. Citations (1)

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length_a	72.260 Å
length_b	72.260 Å
length_c	65.600 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	2.020 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2250
r_free	0.2890

fit	/app/data/saxs_computation/b9/1b92/1b92.fit
pddf	/app/data/pr_computation/b9/1b92/1b92.pr.out
profile	/app/data/saxs_computation/b9/1b92/1b92.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