7LE9

HIV-1 Protease WT (NL4-3) in Complex with PD5 (LR4-22)

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	2020-02-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	51.323, 59.123, 62.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.789 - 1.797
R-factor	0.2013
Rwork	0.200
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.789	1.860
High resolution limit [Å]	1.797	1.800
Rmerge	0.084	0.830
Number of reflections	17959	1745
<I/σ(I)>	13	2.5
Completeness [%]	98.8	97.9
Redundancy	5.2	5.2

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