6EX9

Crystal Structure of HIV-1 Integrase Catalytic Core Domain with Inhibitor Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97933
Spacegroup name	P 41 21 2
Unit cell lengths	96.519, 96.519, 48.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.249 - 2.014
R-factor	0.2284
Rwork	0.226
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bis
RMSD bond length	0.007
RMSD bond angle	0.841
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.260	2.086
High resolution limit [Å]	2.014	2.014
Rmerge	0.061	0.885
Rmeas	0.067
Rpim	0.029
Number of reflections	15682	1524
<I/σ(I)>	17.9	2.6
Completeness [%]	100.0	99.93
Redundancy	9.7
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Succinic acid, 15 % w/v PEG 3350