7MAL

HIV-1 Protease (I84V) in Complex with PU8 (LR4-06)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-19
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.300, 58.185, 62.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.650 - 1.898
R-factor	0.1705
Rwork	0.169
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.700	1.930
High resolution limit [Å]	1.898	1.900
Rmerge	0.058	0.279
Number of reflections	14382	1381
<I/σ(I)>	32.9	6.5
Completeness [%]	94.2	80.9
Redundancy	7.3	7

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