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1b9f

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

Method: X-RAY DIFFRACTION D_max: 50.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b9f
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	16.27 Å
rg_electron	15.13 Å
i0	5359510.00
molecular_weight	16497.0 kDa
excluded_volume	20575 Å³
envelope_volume	23520 Å³
shell_volume	13307 Å³
envelope_diameter	51.7 Å
shell_rg	20.70 Å
envelope_rg	15.45 Å
shape_rg	15.14 Å
total_rg	16.15 Å
total_atoms	1152
n_residues	151
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	50.8 Å
rg_real	16.17 Å
rg_real_error	0.26 Å
i0_real	5.3600e+06
i0_real_error	6.0740e+04
rg_reciprocal	16.18 Å
i0_reciprocal	5360000.0000
total_estimate	0.8233
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.9 Å
skewness	0.151
kurtosis	-0.409
angular_range	— – 0.4900 Å⁻¹
current_alpha	0.0000
highest_alpha	846800.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.903; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; 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	17940.5 kDa
ec_number	2.7.7.49
mutation	F185K, G140A, G149A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1236

MHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFAIPYNPQSQAVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRKGGIGGYSAGERIVDIIATDIQTKE

Source

organism	Human immunodeficiency virus type 1 (CLONE 12)
ncbi_taxonomy_id	11679
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	69

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6. Citations (1)

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length_a	72.440 Å
length_b	72.440 Å
length_c	65.420 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	0.2430
r_free	0.2800

fit	/app/data/saxs_computation/b9/1b9f/1b9f.fit
pddf	/app/data/pr_computation/b9/1b9f/1b9f.pr.out
profile	/app/data/saxs_computation/b9/1b9f/1b9f.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