6OPV

HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V Mutant in complex with darunavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-11
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 61
Unit cell lengths	61.730, 61.730, 81.227
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.340 - 1.910
R-factor	0.1863
Rwork	0.176
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dh0
RMSD bond length	0.006
RMSD bond angle	0.888
Data scaling software	HKL-3000 (v703x)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.059
High resolution limit [Å]	1.910	1.911
Number of reflections	13672	2678
<I/σ(I)>	43.7
Completeness [%]	99.7
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10-15% (w/v) Ammonium Sulfate, 0.75-1.25M Potassium Chloride, 0.1M HEPES pH 7.0