7LE6

HIV-1 Protease WT (NL4-3) in Complex with UMass10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-02
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.985, 58.217, 62.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.416 - 1.962
R-factor	0.1897
Rwork	0.188
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.420	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.067	0.419
Number of reflections	13757	663
<I/σ(I)>	28.2	4.6
Completeness [%]	99.9	99.8
Redundancy	6.9	6.4

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