6OOU

Crystal structure of HIV-1 Protease NL4-3 L89V 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	2018-02-23
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.298, 58.270, 62.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.251 - 2.127
R-factor	0.2064
Rwork	0.204
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.005
RMSD bond angle	0.649
Data scaling software	HKL-3000 (v703x)
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.341
High resolution limit [Å]	2.100	2.127
Number of reflections	10309	2329
<I/σ(I)>	13.4
Completeness [%]	95.5
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5