9FET

Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-47

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.918396
Spacegroup name	I 2 2 2
Unit cell lengths	56.675, 71.314, 158.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.410 - 2.400
R-factor	0.22421
Rwork	0.222
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.410	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	12986	1328
<I/σ(I)>	14.2	1.7
Completeness [%]	100.0
Redundancy	13
CC(1/2)	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% PEG6000 -- 10% ethylene glycol -- 0.1M tris pH 7.5 -- 0.1M calcium chloride