7MA1

HIV-1 Protease (I84V) in Complex with GRL-98065

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-27
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.800, 58.149, 62.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.224 - 1.848
R-factor	0.1561
Rwork	0.154
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.230	1.880
High resolution limit [Å]	1.848	1.850
Rmerge	0.082	0.314
Number of reflections	16365	1571
<I/σ(I)>	21.7	2.7
Completeness [%]	99.3	90.1
Redundancy	6.4	2.5

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