7P7F

Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.99999
Spacegroup name	P 1
Unit cell lengths	49.061, 81.813, 89.088
Unit cell angles	90.27, 105.95, 93.60

Refinement procedure

Resolution	47.090 - 1.960
R-factor	0.1896
Rwork	0.188
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ru7
RMSD bond length	0.013
RMSD bond angle	1.412
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.090	47.090	2.030
High resolution limit [Å]	1.960	7.590	1.960
Rmerge	0.048	0.032	0.413
Rmeas	0.067	0.037	0.597
Rpim	0.034	0.019	0.304
Number of reflections	88717	1633	8568
<I/σ(I)>	12.2		2
Completeness [%]	93.0	99.4	91.7
Redundancy	3.8	3.9	3.8
CC(1/2)	0.998	0.996	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	277.15	20% PEG 3350, 0.1 M sodium sulfate, and 0.1 M citrate, pH 5.9