9HL0

Protein Kinase CK2 and small molecule ligands

This is a non-PDB format compatible entry.

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	2023-02-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	P 43 21 2
Unit cell lengths	127.300, 127.300, 123.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.650 - 2.630
R-factor	0.2329
Rwork	0.230
R-free	0.28040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.067
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.650	2.720
High resolution limit [Å]	2.630	2.630
Number of reflections	30746	14780
<I/σ(I)>	4.8
Completeness [%]	99.3
Redundancy	5.4
CC(1/2)	0.982	0.585

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.