6VDM

HCV NS3/4A protease A156T, D168E double mutant in complex with glecaprevir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	54.337, 58.643, 60.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.710 - 1.900
R-factor	0.1633
Rwork	0.162
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p6m
RMSD bond length	0.008
RMSD bond angle	1.188
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]	23.710	1.966
High resolution limit [Å]	1.898	1.898
Number of reflections	15654	1499
<I/σ(I)>	42.23
Completeness [%]	99.3
Redundancy	6.7
CC(1/2)	0.962	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	0.1 M MES pH 6.5 2% Ammonium sulfate 20-25% PEG 3350