7M9L

HIV-1 Protease WT (NL4-3) in Complex with LR4-15

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	51.212, 59.055, 61.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.661 - 1.752
R-factor	0.1788
Rwork	0.177
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.661	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.101	0.717
Number of reflections	18787	1822
<I/σ(I)>	25.8	3.3
Completeness [%]	97.2
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5