7MAK

HIV-1 Protease (I84V) in Complex with PU7 (LR3-67)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.188, 58.224, 62.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.594 - 1.972
R-factor	0.1878
Rwork	0.186
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.600	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.075	0.500
Number of reflections	13389	1299
<I/σ(I)>	25.8	3.8
Completeness [%]	98.2	94.8
Redundancy	7	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