7LE1

HIV-1 Protease WT (NL4-3) in Complex with UMass2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-28
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.131, 58.318, 62.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.650 - 2.001
R-factor	0.2163
Rwork	0.214
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.700	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.082	0.417
Number of reflections	13029	638
<I/σ(I)>	20.5	4.1
Completeness [%]	99.4	98.5
Redundancy	6.6	5.3

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