5KGX

HIV1 catalytic core domain in complex with an 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	2015-10-14
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541
Spacegroup name	P 31 2 1
Unit cell lengths	72.109, 72.109, 65.713
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.080 - 2.670
Rwork	0.191
R-free	0.24360
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]	29.080	2.765
High resolution limit [Å]	2.670	2.670
Rmerge		0.407
Number of reflections	5895
<I/σ(I)>	26.22	4.63
Completeness [%]	95.8	99
Redundancy	4.2	4.3

Crystallization Conditions

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