6PJO

HIV-1 Protease NL4-3 WT in Complex with LR2-42

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-20
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.363, 58.556, 61.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.310 - 1.950
R-factor	0.1912
Rwork	0.189
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.719
Data scaling software	HKL-3000 (v703x)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	1.950	1.950
Number of reflections	13293	2467
<I/σ(I)>	27.2
Completeness [%]	93.9
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	23-27% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5