6OXR

HIV-1 Protease NL4-3 WT in Complex with LR-82

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-04
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.768, 58.620, 61.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.479 - 2.035
R-factor	0.191
Rwork	0.189
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.002
RMSD bond angle	0.553
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	2.240
High resolution limit [Å]	2.030	2.030
Number of reflections	11816	2790
<I/σ(I)>	26.2
Completeness [%]	95.8
Redundancy	7.5

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