5UFZ

HIV-1 Protease complexed with Inhibitor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2S)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 2 21 21
Unit cell lengths	45.947, 57.070, 86.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.789 - 1.649
R-factor	0.1761
Rwork	0.174
R-free	0.20260
RMSD bond length	0.006
RMSD bond angle	1.043
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	35.789
High resolution limit [Å]	1.649
Number of reflections	118689
<I/σ(I)>	38.866
Completeness [%]	98.2
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.5 M Potassium thiocyanate, 0.1 M BIS-TRIS propane pH 7.0