9QRH

Protein Kinase CK2 and bivalent inhibitors

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96546
Spacegroup name	P 43 21 2
Unit cell lengths	127.669, 127.669, 124.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.140 - 2.590
R-factor	0.1954
Rwork	0.193
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.966
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.140	2.680
High resolution limit [Å]	2.590	2.590
Rmerge	0.085	2.168
Rmeas	0.088	2.266
Rpim	0.025	0.656
Total number of observations		37011
Number of reflections	61057	3130
<I/σ(I)>	19.3	1.1
Completeness [%]	100.0
Redundancy	12.8	11.8
CC(1/2)	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.