6YPN

Crystal Structure of CK2alpha with 2 molecules of ADP bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 1 21 1
Unit cell lengths	57.392, 45.225, 62.631
Unit cell angles	90.00, 109.90, 90.00

Refinement procedure

Resolution	53.970 - 1.580
R-factor	0.2073
Rwork	0.205
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cvh
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.970	53.970	1.660
High resolution limit [Å]	1.580	4.990	1.580
Rmerge	0.111	0.049	1.379
Rmeas	0.120	0.053	1.572
Rpim	0.045	0.019	0.731
Total number of observations		10362	26550
Number of reflections	41463	1400	5962
<I/σ(I)>	8.1	29.4	0.7
Completeness [%]	99.4	99.8	98.6
Redundancy	6.4	7.4	4.5
CC(1/2)	0.998	0.999	0.418

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	20 %v/v PEGSM, 10 %v/v Glycerol, 0.2 M Na Form, 0.1 M Na-Phosphate