7LEI

HIV-1 Protease WT (NL4-3) in Complex with PU10 (LR4-07)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-19
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.292, 58.455, 61.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.500 - 1.943
R-factor	0.1803
Rwork	0.178
R-free	0.21730
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]	26.500	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.078	0.432
Number of reflections	13883	578
<I/σ(I)>	20.7	3.4
Completeness [%]	97.5	84.9
Redundancy	6.8	5.4

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