7LE8

HIV-1 Protease WT (NL4-3) in Complex with PD4 (LR4-23)

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	51.260, 58.636, 61.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.506 - 1.644
R-factor	0.1923
Rwork	0.191
R-free	0.21110
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]	39.506	1.700
High resolution limit [Å]	1.640	1.640
Rmerge	0.060	0.877
Number of reflections	23234	2194
<I/σ(I)>	14.7	2.1
Completeness [%]	99.4	96.2
Redundancy	6.3	6.2

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