6OOS

HIV-1 Protease NL4-3 L90M 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	2018-02-22
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	50.981, 57.950, 62.364
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	23.356 - 1.900
R-factor	0.1652
Rwork	0.164
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.005
RMSD bond angle	0.836
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	1.968
High resolution limit [Å]	1.900	1.901
Number of reflections	27535	2498
<I/σ(I)>	26.1
Completeness [%]	95.6
Redundancy	3.8

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