6PJC

HIV-1 Protease NL4-3 WT in Complex with LR4-41

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)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	51.654, 62.481, 59.786
Unit cell angles	90.00, 98.17, 90.00

Refinement procedure

Resolution	39.569 - 1.965
R-factor	0.2409
Rwork	0.239
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.009
RMSD bond angle	1.282
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	2.044
High resolution limit [Å]	1.950	1.965
Number of reflections	26144	2648
<I/σ(I)>	12.2
Completeness [%]	97.5
Redundancy	4.4

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