9RCX

Structure of protein kinase CK2alpha mutant T127M 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	2025-02-27
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.87313
Spacegroup name	P 43 21 2
Unit cell lengths	128.099, 128.099, 124.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.200 - 2.250
R-factor	0.2069
Rwork	0.205
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.484
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]	73.202	2.481
High resolution limit [Å]	2.250	2.253
Rmerge	0.317	2.227
Number of reflections	34073	1704
<I/σ(I)>	9.4	1.5
Completeness [%]	69.0
Redundancy	25.6
CC(1/2)	0.997	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Reservoir: 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, 2 microliter reservoir solution