6OPS

HIV-1 Protease NL4-3 WT 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	2018-03-03
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 61
Unit cell lengths	62.276, 62.276, 82.266
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.625 - 2.080
R-factor	0.2252
Rwork	0.225
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.003
RMSD bond angle	0.499
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	2.289
High resolution limit [Å]	2.080	2.080
Number of reflections	10660	2546
<I/σ(I)>	24
Completeness [%]	97.0
Redundancy	9.8

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