9S7H

Structure of protein kinase CK2alpha mutant H160R associated with the Okur-Chung Neurodevelopmental Syndrome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.91840
Spacegroup name	P 43 21 2
Unit cell lengths	128.712, 128.712, 124.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.010 - 2.090
R-factor	0.1896
Rwork	0.187
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.710
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.013	2.390
High resolution limit [Å]	2.088	2.088
Rmerge	0.388	4.137
Number of reflections	40809	2040
<I/σ(I)>	9.1	1.6
Completeness [%]	65.2
Redundancy	11.2
CC(1/2)	0.996	0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 mM Li2SO4, 100 mM Bis-tris/HCl, pH 6.5, 25 % PEG 3350 Protein 5 mg per mL in 500 mM NaCl, 25 mM TRIS/HCl, pH 8.5 2 parts protein mixed with one part Reservoir Soaking with AMPPNP/MgCl2