7NZY

Crystal structure of human Casein Kinase I delta in complex with CGS-15943

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979400
Spacegroup name	P 1
Unit cell lengths	48.938, 82.081, 89.556
Unit cell angles	87.10, 74.26, 86.33

Refinement procedure

Resolution	47.040 - 1.850
R-factor	0.2053
Rwork	0.205
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4twc
RMSD bond length	0.007
RMSD bond angle	0.783
Data reduction software	XDS (20180126)
Data scaling software	XDS (20180126)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.040	1.916
High resolution limit [Å]	1.850	1.850
Number of reflections	110137	10873
<I/σ(I)>	9.96
Completeness [%]	96.3
Redundancy	3.6
CC(1/2)	0.997	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M sodium malonate pH = 5.0, 20% (w/v) PEG 3350