7M9X

HIV-1 Protease (I84V) in Complex with NR02-79

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	51.097, 57.972, 62.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.546 - 1.831
R-factor	0.183
Rwork	0.182
R-free	0.20840
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]	26.550	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.053	0.285
Number of reflections	16502	1601
<I/σ(I)>	34.6	4.7
Completeness [%]	97.9	81.2
Redundancy	6.7	4.5

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