9S76

Structure of protein kinase CK2alpha mutant Y50C associated with the Okur-Chung Neurodevelopmental Syndrome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	127.662, 127.662, 124.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.800 - 1.730
R-factor	0.1863
Rwork	0.185
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.195
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.271	1.902
High resolution limit [Å]	1.726	1.726
Rmerge	0.142	2.605
Number of reflections	76585	3829
<I/σ(I)>	14.5	1.7
Completeness [%]	70.9
Redundancy	26.4
CC(1/2)	0.995	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Reservoir: Index (Hampton) G3, 200 mM lithium sulphate, 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 supplemented with DTT