6P6Z

HCV NS3/4A protease domain of genotype 4a with an extended linker 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	2018-08-10
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	43.908, 60.738, 61.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.421 - 2.294
R-factor	0.1952
Rwork	0.193
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5voj
RMSD bond length	0.002
RMSD bond angle	0.768
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.421	2.376
High resolution limit [Å]	2.294	2.294
Rmerge		0.217
Number of reflections	7364	659
<I/σ(I)>	15.44
Completeness [%]	94.7
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaCl 0.2M HEPES pH 7.0 20% PEG 6000 3 mM glecaprevir