3WIL

Crystal structure of the CK2alpha/compound3 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2011-10-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	48.092, 78.991, 82.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.030 - 2.900
R-factor	0.21169
Rwork	0.204
R-free	0.28077
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3war
RMSD bond length	0.019
RMSD bond angle	1.824
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	57.060
High resolution limit [Å]	2.900
Number of reflections	7410
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	25% ethyleneglycol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K