8ZHA

HIV-1 integrase core domain in complex with compound 15

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-25
Detector	MAR CCD 300 mm
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	72.740, 72.740, 66.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.720 - 1.950
R-factor	0.1912
Rwork	0.190
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.633
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.450	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.092	0.681
Rmeas	0.099	0.733
Rpim	0.037	0.268
Number of reflections	15195	1054
<I/σ(I)>	13.2	3
Completeness [%]	99.9	100
Redundancy	7.1
CC(1/2)	0.997	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M sodium cacodylate, 0.2M ammonium sulfate, 7% (w/v) PEG 8000, 5mM DTT, soaking the crystal with 1mM compound 15