7MAJ

HIV-1 Protease (I84V) in Complex with PU6 (LR3-66)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-25
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.338, 57.849, 62.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.723 - 1.871
R-factor	0.1976
Rwork	0.196
R-free	0.22980
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]	23.730	1.900
High resolution limit [Å]	1.870	1.870
Rmerge	0.061	0.234
Number of reflections	15394	1478
<I/σ(I)>	28.7
Completeness [%]	97.1	83.1
Redundancy	7	6.7

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