7BU4

Crystal structure of CK2a1 complexed with KY49

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	PIXEL
Collection date	2019-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	48.270, 82.820, 79.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.410 - 1.702
R-factor	0.1922879741
Rwork	0.191
R-free	0.22207
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3war
RMSD bond length	0.007
RMSD bond angle	1.045
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]	50.070	1.810
High resolution limit [Å]	1.700	1.700
Number of reflections	35489	5645
<I/σ(I)>	16.92
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.999	0.785

Crystallization Conditions

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