7P7G

Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2 and 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00009
Spacegroup name	P 21 21 21
Unit cell lengths	53.542, 64.254, 163.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.830 - 1.700
R-factor	0.1726
Rwork	0.171
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ru7
RMSD bond length	0.013
RMSD bond angle	1.484
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.830	44.830	1.740
High resolution limit [Å]	1.700	7.970	1.700
Rmerge	0.095	0.038	0.978
Rmeas	0.104	0.041	1.084
Rpim	0.031	0.013	0.325
Number of reflections	63264	723	4246
<I/σ(I)>	16		2.4
Completeness [%]	100.0	99.6	100
Redundancy	10.9	9.4	10.7
CC(1/2)	0.999	0.999	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	12% PEG 3350 and 0.1 M ammonium citrate