6VDO

HCV NS3/4A protease A156T, D168E double mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-08
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	55.019, 58.587, 61.636
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.050 - 2.110
R-factor	0.1963
Rwork	0.194
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p6m
RMSD bond length	0.006
RMSD bond angle	0.714
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.050	2.187
High resolution limit [Å]	2.110	2.111
Number of reflections	11839	1088
<I/σ(I)>	15.4
Completeness [%]	99.2
Redundancy	6.4
CC(1/2)	0.998	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	0.1M MES pH 6.5 2% Ammonium sulfate 20-25% PEG3350