7M9O

HIV-1 Protease (I84V) in Complex with LR3-48

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-23
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.039, 58.216, 61.849
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.372 - 1.895
R-factor	0.1911
Rwork	0.190
R-free	0.21380
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]	23.400	1.930
High resolution limit [Å]	1.895	1.900
Rmerge	0.067	0.300
Number of reflections	14781	1434
<I/σ(I)>	24.5	3.5
Completeness [%]	97.3	83.6
Redundancy	6.3	4.1

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