7LE2

HIV-1 Protease WT (NL4-3) in Complex with UMass4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-01
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.936, 58.128, 62.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.327 - 1.971
R-factor	0.1972
Rwork	0.195
R-free	0.24160
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]	23.330	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.067	0.411
Number of reflections	13049	615
<I/σ(I)>	28	4.8
Completeness [%]	95.6	92.6
Redundancy	7.2	7.1

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