7M9S

HIV-1 Protease WT (NL4-3) 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	2018-11-17
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.029, 58.508, 62.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.601 - 1.961
R-factor	0.1844
Rwork	0.182
R-free	0.23150
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]	23.601	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.075	0.489
Number of reflections	13628	1308
<I/σ(I)>	24.6	3
Completeness [%]	98.2	92.5
Redundancy	6.9	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