7M9W

HIV-1 Protease (I84V) in Complex with NR02-73

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	51.034, 58.079, 62.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.529 - 1.901
R-factor	0.1739
Rwork	0.172
R-free	0.20870
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]	26.530	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.062	0.323
Number of reflections	14767	1403
<I/σ(I)>	30.2	4.3
Completeness [%]	97.8	81.7
Redundancy	6.8	5.1

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