9S8J

Structure of protein kinase CK2alpha mutant R191Q associated with the Okur-Chung Neurodevelopmental Syndrome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 43 21 2
Unit cell lengths	128.280, 128.280, 125.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.140 - 2.480
R-factor	0.2144
Rwork	0.211
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.513
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]	90.708	2.722
High resolution limit [Å]	2.438	2.438
Rmerge	0.361	1.958
Number of reflections	28669	1433
<I/σ(I)>	6	1.4
Completeness [%]	76.3
Redundancy	8.8
CC(1/2)	0.979	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Reservoir: 200 mM Li2SO4, 100 mM Bis-Tris/HCl, pH 6.5, 25 % PEG3350 Protein: 5 mg per mL in 500 mM NaCl, 25 mM Tris/HCl, pH 8.5 Drop: 2 parts protein mixed with 1 part reservoir Soaking with AMPPNP/MgCl2