7MAG

HIV-1 Protease (I84V) in Complex with PU3 (LR3-69)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-26
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.276, 58.513, 61.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.682 - 1.920
R-factor	0.1978
Rwork	0.197
R-free	0.22500
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]	23.700	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.071	0.298
Number of reflections	14019	1346
<I/σ(I)>	23.2	5.6
Completeness [%]	94.9	81.8
Redundancy	7	6.3

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