6VDL

HCV NS3/4A protease A156T 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	2019-11-08
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	54.793, 58.601, 59.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.560 - 1.950
R-factor	0.1548
Rwork	0.152
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p6m
RMSD bond length	0.006
RMSD bond angle	1.017
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]	19.560	2.019
High resolution limit [Å]	1.949	1.949
Number of reflections	14094	1332
<I/σ(I)>	30.77
Completeness [%]	96.5
Redundancy	7
CC(1/2)	0.996	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MES pH6.5, 2% Ammonium sulfate, 20-25% PEG 3350