4LH5

Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-10
Detector	PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	72.938, 72.938, 65.881
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.590 - 2.190
R-factor	0.18067
Rwork	0.178
R-free	0.23625
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lh4
RMSD bond length	0.020
RMSD bond angle	2.614
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.590	2.250
High resolution limit [Å]	2.190	2.190
Rmerge	0.029	0.123
Number of reflections	10071
<I/σ(I)>		8.96
Completeness [%]	97.6	93.4
Redundancy		3.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	297	1.16-1.36 M ammonium sulfate, 50 mM sodium cacodylate-HCl pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K