6VXU

Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	91.771, 96.300, 191.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.185
Rwork	0.184
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bru
RMSD bond length	0.006
RMSD bond angle	1.309
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.150	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.084	0.944
Number of reflections	112736	4515
<I/σ(I)>	11.9
Completeness [%]	97.8	80.8
Redundancy	6.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	27.5% PEG3350; 300 mM LiSO4; 0.1 M SBG (each Sodium-tartrate + Bis-Tris + Glycylglycine) pH 6.5