7MA0

HIV-1 Protease (I84V) in Complex with LR2-91

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-28
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.922, 57.990, 62.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.349 - 1.920
R-factor	0.1744
Rwork	0.173
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.400	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.069	0.377
Number of reflections	14268	1355
<I/σ(I)>	25.2	3.3
Completeness [%]	97.8	83.8
Redundancy	6.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5