8Q1Z

Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-296

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-F
Wavelength(s)	0.9183962
Spacegroup name	I 2 2 2
Unit cell lengths	56.732, 71.031, 158.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.370 - 1.850
R-factor	0.20257
Rwork	0.200
R-free	0.25075
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.344
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.370	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	27769	1677
<I/σ(I)>	14.5
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	0.999	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350 -- 0.2M potassium formate