7M9H

HIV-1 Protease (I84V) in Complex with LR2-20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-13
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.952, 57.942, 62.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.231 - 1.891
R-factor	0.168
Rwork	0.167
R-free	0.19570
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]	24.300	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.055	0.368
Number of reflections	15072	1462
<I/σ(I)>	29.9	2.9
Completeness [%]	97.8	83.7
Redundancy	6.2	3.5

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