5KGW

HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	110
Detector technology	PIXEL
Collection date	2014-01-11
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541
Spacegroup name	P 31 2 1
Unit cell lengths	72.196, 72.196, 65.981
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.180 - 2.340
Rwork	0.194
R-free	0.24100
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.180	2.427
High resolution limit [Å]	2.340	2.343
Rmerge		0.508
Number of reflections	8689
<I/σ(I)>	23.23	3.51
Completeness [%]	99.8	99
Redundancy	4.3	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	8%PEG 8K .1M Ammonium Sulfate .1M Na-cacodylate pH 6.5 5mM DTT