9I17

Human protein kinase CK2 alpha in complex with TN20

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	58.402, 46.506, 63.315
Unit cell angles	90.00, 111.50, 90.00

Refinement procedure

Resolution	36.502 - 1.550
R-factor	0.1653
Rwork	0.164
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.841
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.910	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.061	0.731
Rmeas	0.066	0.796
Rpim	0.026	0.311
Total number of observations	291627	14516
Number of reflections	46044	2254
<I/σ(I)>	16.2	2.7
Completeness [%]	99.9
Redundancy	6.3	6.4
CC(1/2)	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	32% PEG4000, 0.2 M Lithium Sulfate