6PJM

HIV-1 Protease NL4-3 WT in Complex with LR2-35

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-17
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.271, 58.832, 61.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.561 - 1.930
R-factor	0.176
Rwork	0.174
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.003
RMSD bond angle	0.673
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	2.079
High resolution limit [Å]	1.930	1.930
Number of reflections	14564	2794
<I/σ(I)>	20.2
Completeness [%]	99.5
Redundancy	5.9

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