6PJG

HIV-1 Protease NL4-3 WT in Complex with LR3-97

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.07812
Spacegroup name	P 21 21 21
Unit cell lengths	51.326, 58.597, 61.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.581 - 1.800
R-factor	0.1825
Rwork	0.181
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.011
RMSD bond angle	1.230
Data scaling software	HKL-2000 (v717)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.800	1.800
Number of reflections	17695	2788
<I/σ(I)>	24.9
Completeness [%]	98.7
Redundancy	5.1

Crystallization Conditions

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