6OPX

HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, L76V, 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	2018-08-03
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 61
Unit cell lengths	61.885, 61.885, 81.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.390 - 2.030
R-factor	0.2478
Rwork	0.231
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dh0
RMSD bond length	0.003
RMSD bond angle	0.678
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	2.236
High resolution limit [Å]	2.030	2.032
Number of reflections	11470	2817
<I/σ(I)>	33.8
Completeness [%]	99.5
Redundancy	11.1

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