6UE3

Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-17
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	55.616, 58.511, 59.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.290 - 1.560
R-factor	0.1567
Rwork	0.155
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5voj
RMSD bond length	0.010
RMSD bond angle	1.502
Data reduction software	HKL-3000 (V703X)
Data scaling software	HKL-3000 (V703X)
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.700	1.590
High resolution limit [Å]	1.560	1.560
Number of reflections	28103	1114
<I/σ(I)>	25.2
Completeness [%]	98.3
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	20-26% PEG 3350, 0.1 M sodium MES pH 6.5, 1-4% ammonium sulfate