7LEE

HIV-1 Protease WT (NL4-3) in Complex with PU5 (LR4-47)

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	51.326, 59.121, 61.755
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.706 - 1.795
R-factor	0.1933
Rwork	0.191
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.706	1.860
High resolution limit [Å]	1.795	1.795
Rmerge	0.077	0.905
Number of reflections	18123	1777
<I/σ(I)>	17.1	3.4
Completeness [%]	99.9	99.5
Redundancy	8.4	8.3

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