7M9I

HIV-1 Protease (I84V) in Complex with LR2-26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.132, 57.069, 61.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.134 - 1.817
R-factor	0.1641
Rwork	0.162
R-free	0.21060
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]	27.200	1.850
High resolution limit [Å]	1.817	1.820
Rmerge	0.051	0.245
Number of reflections	16322	1583
<I/σ(I)>	34.3	4.8
Completeness [%]	97.0	80.5
Redundancy	6.4	3.7

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