9RCY

Structure of protein kinase CK2alpha mutant R21Q 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	2024-04-06
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 43 21 2
Unit cell lengths	129.751, 129.751, 124.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.750 - 2.350
R-factor	0.2111
Rwork	0.207
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.402
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.750	2.755
High resolution limit [Å]	2.350	2.350
Rmerge	0.384	2.506
Number of reflections	24764	1238
<I/σ(I)>	6.4	1.6
Completeness [%]	55.4
Redundancy	6.5
CC(1/2)	0.975	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Reservoir: 700 microliters of 200 mM Lithium sulphate, 100 mM Bis-Tris, pH 6.5, 35 % PEG 3350 Protein concentrated to 5 mg per mL in 500 mM NaCl, 25 mM Tris-HCl, pH 8.5 Drop: 6 microliter protein mixed with 2 microliter reservoir