8V0Z

HIV-1 Integrase F185H W131C Complexed with Allosteric Inhibitor BI-D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 61 2 2
Unit cell lengths	104.955, 104.955, 245.131
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 4.560
Rwork	0.329
R-free	0.33430
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XDS (Feb 5, 2021)
Phasing software	PHASER (2.8.3)
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.030	49.030	4.670
High resolution limit [Å]	4.400	12.800	4.400
Rmerge	0.132	0.029	2.541
Rmeas	0.146	0.034	2.789
Rpim	0.060
Number of reflections	5453	264	839
<I/σ(I)>	6.46
Completeness [%]	97.6
Redundancy	5.5
CC(1/2)	1.000	1.000	0.209

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294.15	30% 2-methyl-2,4--pentanediol (MPD), 0.1M sodium citrate pH 5.6