7MAC

HIV-1 Protease (I84V) 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)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	51.302, 58.728, 62.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.560 - 1.700
R-factor	0.1972
Rwork	0.196
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.560	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.083	0.720
Number of reflections	21270	2021
<I/σ(I)>	14.5
Completeness [%]	99.8	99.7
Redundancy	6.9	6.8

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