7LDY

HIV-1 Protease WT (NL4-3) in Complex with TMC-126

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-24
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.923, 58.095, 62.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.571 - 1.984
R-factor	0.1842
Rwork	0.183
R-free	0.21110
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]	23.600	2.020
High resolution limit [Å]	1.980	1.980
Rmerge	0.098	0.399
Number of reflections	13322	660
<I/σ(I)>	17.7	4.7
Completeness [%]	99.9	100
Redundancy	6.8	6.7

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