7M9V

HIV-1 Protease (I84V) in Complex with NR01-141

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-24
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.079, 58.272, 61.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.338 - 1.891
R-factor	0.1755
Rwork	0.174
R-free	0.20820
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]	27.340	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.055	0.261
Number of reflections	14946	1435
<I/σ(I)>	34	5.4
Completeness [%]	97.3	82.3
Redundancy	7	5.5

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