3E3B

Crystal structure of catalytic subunit of human protein kinase CK2alpha prime with a potent indazole-derivative inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-18
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 2
Unit cell lengths	69.813, 102.126, 46.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.640 - 3.200
R-factor	0.268
Rwork	0.248
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1plk
RMSD bond length	0.008
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.640	3.310
High resolution limit [Å]	3.200	3.200
Number of reflections	5978
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	8% PEG8000, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K