6HMR

Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2)

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	2018-04-26
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000031
Spacegroup name	P 1 21 1
Unit cell lengths	48.880, 74.036, 89.485
Unit cell angles	90.00, 102.82, 90.00

Refinement procedure

Resolution	46.380 - 1.782
R-factor	0.1759
Rwork	0.175
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mqv
RMSD bond length	0.007
RMSD bond angle	0.849
Data reduction software	XDS (20180126)
Data scaling software	XDS (20180126)
Phasing software	PHASER ((1.12_2829: 000))
Refinement software	PHENIX ((1.12_2829: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.380	1.846
High resolution limit [Å]	1.782	1.782
Number of reflections	57955
<I/σ(I)>	11.23
Completeness [%]	97.4
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium malonate pH 6.0 20 % Polyethylene glycol 3,350