6L24

Crystal structure of CK2a1 H115Y/V116I with hematein

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	PIXEL
Collection date	2018-03-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	51.588, 78.823, 79.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.350 - 2.400
R-factor	0.191778227782
Rwork	0.184
R-free	0.26299
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3war
RMSD bond length	0.008
RMSD bond angle	1.242
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.350	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.193	0.845
Number of reflections	13323	1373
<I/σ(I)>	8
Completeness [%]	100.0
Redundancy	6.4

Crystallization Conditions

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