9S7I

Structure of protein kinase CK2alpha mutant D175G 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)	0.87313
Spacegroup name	P 43 21 2
Unit cell lengths	128.812, 128.812, 125.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.080 - 2.110
R-factor	0.2147
Rwork	0.213
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.531
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.080	2.284
High resolution limit [Å]	2.110	2.110
Rmerge	0.229	4.259
Number of reflections	50386	2519
<I/σ(I)>	12.7	1.6
Completeness [%]	82.8
Redundancy	18
CC(1/2)	0.998	0.546

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