7M9N

HIV-1 Protease (I84V) in Complex with LR3-68

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-29
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.159, 58.542, 62.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.652 - 1.820
R-factor	0.1766
Rwork	0.175
R-free	0.20590
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]	23.700	1.850
High resolution limit [Å]	1.820	1.820
Rmerge	0.057	0.222
Number of reflections	17061	1655
<I/σ(I)>	30.4	4.2
Completeness [%]	98.5	82.2
Redundancy	6.4	2.9

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