7LEC

HIV-1 Protease WT (NL4-3) in Complex with PU3 (LR3-69)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-03
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.361, 58.591, 61.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.711 - 1.940
R-factor	0.2016
Rwork	0.199
R-free	0.24740
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]	23.720	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.067	0.397
Number of reflections	14216	686
<I/σ(I)>	25.3	4.7
Completeness [%]	99.0	97.6
Redundancy	7	6.5

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