7M9M

HIV-1 Protease WT (NL4-3) in Complex with LR3-55

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-02
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.403, 58.859, 61.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.554 - 1.881
R-factor	0.1962
Rwork	0.194
R-free	0.23470
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]	23.600	1.910
High resolution limit [Å]	1.880	1.880
Rmerge	0.051	0.232
Number of reflections	15113	1466
<I/σ(I)>	33.6	7
Completeness [%]	95.7	78.8
Redundancy	7.2	6.3

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