6L1Z

Crystal structure of CK2a1 with hematein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	95
Detector technology	CCD
Collection date	2010-03-06
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	51.609, 78.664, 79.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.630 - 1.908
R-factor	0.195268050958
Rwork	0.194
R-free	0.21629
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3war
RMSD bond length	0.004
RMSD bond angle	1.546
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNX
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.908	1.910
Rmerge	0.078	0.415
Number of reflections	25447	1038
<I/σ(I)>	27.8
Completeness [%]	97.9
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Ethylene Glycol