7LEH

HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-05
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.286, 58.353, 62.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.170 - 2.000
R-factor	0.1937
Rwork	0.192
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgx
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.200	2.020
High resolution limit [Å]	1.996	1.996
Rmerge	0.084	0.399
Number of reflections	12640	602
<I/σ(I)>	22.6	4.6
Completeness [%]	95.9	93.2
Redundancy	7.1	6.4

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