2OXD

Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-07
Detector	ADSC QUANTUM 315
Spacegroup name	C 1 2 1
Unit cell lengths	142.148, 60.316, 46.238
Unit cell angles	90.00, 103.56, 90.00

Refinement procedure

Resolution	69.170 - 2.300
R-factor	0.22338
Rwork	0.221
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zoe
RMSD bond length	0.010
RMSD bond angle	1.325
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.170	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.091	0.216
Number of reflections	14913
<I/σ(I)>	1.8	2.8
Completeness [%]	88.5	92.7
Redundancy	1.9	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	10-20% PEG 4000, 0.2 M sodium acetate, 0.1 M TrisHCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K