6OXO

HIV-1 Protease NL4-3 WT in Complex with LR2-91

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-27
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.076, 58.412, 62.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.399 - 2.003
R-factor	0.2031
Rwork	0.201
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.547
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	2.158
High resolution limit [Å]	2.000	2.003
Number of reflections	13010	2504
<I/σ(I)>	15.7
Completeness [%]	99.7
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22-26% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5