7MAB

HIV-1 Protease (I84V) in Complex with GS-8374

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-03
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.283, 58.247, 62.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.177 - 1.879
R-factor	0.1672
Rwork	0.165
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.200	1.910
High resolution limit [Å]	1.879	1.880
Rmerge	0.041	0.174
Number of reflections	15440	1482
<I/σ(I)>	44
Completeness [%]	98.1	90
Redundancy	7	5.5

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