7P7H

Crystal structure of Casein Kinase I delta (CK1d) with alphaG-in conformation

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	2021-07-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00002
Spacegroup name	P 1 21 1
Unit cell lengths	49.029, 73.377, 90.608
Unit cell angles	90.00, 103.64, 90.00

Refinement procedure

Resolution	44.030 - 2.400
R-factor	0.2251
Rwork	0.223
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ru7
RMSD bond length	0.009
RMSD bond angle	1.238
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.030	44.030	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.169	0.058	0.808
Rmeas	0.213	0.065	1.021
Rpim	0.095	0.027	0.455
Number of reflections	23044	734	3365
<I/σ(I)>	7		1.7
Completeness [%]	94.5	91.2	95
Redundancy	4.7	5.1	4.5
CC(1/2)	0.980	0.996	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277.15	18% PEG 6000, 1 M LiCl and 0.1 M citrate, pH 5.5