7LEF

HIV-1 Protease WT (NL4-3) in Complex with PU7 (LR3-67)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-28
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.328, 58.444, 61.934
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.709 - 1.930
R-factor	0.2063
Rwork	0.204
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
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]	23.710	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.065	0.368
Number of reflections	14194	631
<I/σ(I)>	24.5	3.5
Completeness [%]	97.4	89
Redundancy	6.7	4.5

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