6DIQ

Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-13
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	55.455, 58.482, 59.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.026 - 1.579
R-factor	0.1523
Rwork	0.151
R-free	0.18310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5voj
RMSD bond length	0.007
RMSD bond angle	1.046
Data scaling software	HKL-3000 (703x)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.026	1.643
High resolution limit [Å]	1.579	1.579
Number of reflections	25037
<I/σ(I)>	7.9
Completeness [%]	91.3
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	100 mM MES Buffer pH 6.5, 4% (W/V) Ammonium Sulfate, 20-26% PEG 3350