6OPU

HIV-1 Protease NL4-3 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	2016-11-02
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 61
Unit cell lengths	61.497, 61.497, 81.319
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.761 - 1.940
R-factor	0.2093
Rwork	0.205
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dh0
RMSD bond length	0.002
RMSD bond angle	0.616
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	2.138
High resolution limit [Å]	1.940	1.942
Number of reflections	12722	3080
<I/σ(I)>	48.5
Completeness [%]	97.9
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	19-26% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5