7QRA

Crystal structure of CK1 delta in complex with VN725

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	2018-06-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	49.208, 84.949, 90.070
Unit cell angles	70.84, 74.08, 86.93

Refinement procedure

Resolution	49.740 - 2.400
R-factor	0.2406
Rwork	0.238
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ru8
RMSD bond length	0.011
RMSD bond angle	1.107
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.740	49.740	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.122	0.051	0.376
Rmeas	0.172	0.062	0.539
Rpim	0.097	0.033	0.307
Number of reflections	48143	1599	7346
<I/σ(I)>	5.9		2.2
Completeness [%]	92.9	97.4	96.6
Redundancy	2.9	3.2	2.8
CC(1/2)	0.984	0.997	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			20% PEG 3350, 0.1M sodium sulfate, 0.1M citrate 5.0