7L1P

HIV Integrase Core domain (IN) in complex with dimer-spanning ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.96
Spacegroup name	P 43
Unit cell lengths	46.277, 46.277, 139.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.750 - 1.850
R-factor	0.2418
Rwork	0.238
R-free	0.28370
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.015
RMSD bond angle	2.043
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.330	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.061	0.749
Rmeas	0.066	0.812
Rpim	0.025	0.307
Number of reflections	47687	1392
<I/σ(I)>	20	2.4
Completeness [%]	99.4	94
Redundancy	7.3
CC(1/2)	0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	2.2 M ammonium sulfate, 100 mM potassium iodide