3FL5

Protein kinase CK2 in complex with the inhibitor Quinalizarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9340
Spacegroup name	C 1 2 1
Unit cell lengths	142.743, 61.078, 44.797
Unit cell angles	90.00, 103.01, 90.00

Refinement procedure

Resolution	69.500 - 2.300
Rwork	0.183
R-free	0.23500
Structure solution method	Rigid body in an isomorphous cell
RMSD bond length	0.008
RMSD bond angle	1.082
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.541	55.900	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.050	0.027	0.153
Total number of observations		1463	7176
Number of reflections	15986
<I/σ(I)>	12.2	20.5	5
Completeness [%]	95.4	92	95.3
Redundancy	3.1	2.9	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% PEG 4000, 200mM Na-acetate, 100mM Na-HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K