6F26

Crystal structure of human Casein Kinase I delta in complex with compound 31b

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	2016-08-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	56.075, 72.956, 90.015
Unit cell angles	90.00, 90.15, 90.00

Refinement procedure

Resolution	47.651 - 1.830
R-factor	0.1901
Rwork	0.190
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4twc
RMSD bond length	0.005
RMSD bond angle	0.783
Data reduction software	XDS (20170720)
Data scaling software	XSCALE (20170720)
Phasing software	PHENIX ((1.12_2829))
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.651	1.895
High resolution limit [Å]	1.830	1.830
Number of reflections	63861	4416
<I/σ(I)>	13.12	2.41
Completeness [%]	99.0	97
Redundancy	5
CC(1/2)		0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M MES pH 5.5, 10 % (w/v) PEG 4000, 0.2 M lithium sulfate