7MAN

HIV-1 Protease (I84V) in Complex with PU9 (LR2-80)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-03
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.202, 58.049, 62.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.424 - 1.892
R-factor	0.1672
Rwork	0.166
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
RMSD bond length	0.003
RMSD bond angle	0.711
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.430	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.066	0.330
Number of reflections	15035	1428
<I/σ(I)>	27.5	4.4
Completeness [%]	97.6	90.4
Redundancy	7	5.2

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