7M9T

HIV-1 Protease WT (NL4-3) 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	2018-11-18
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.003, 58.285, 62.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.599 - 1.950
R-factor	0.1749
Rwork	0.173
R-free	0.21020
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]	23.600	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.063	0.341
Number of reflections	13764	1308
<I/σ(I)>	28.7	3.7
Completeness [%]	97.7	86.8
Redundancy	6.8	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