7QR9

Crystal structure of CK1 delta in complex with PK-09-82

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	49.438, 85.240, 89.678
Unit cell angles	70.27, 74.10, 86.86

Refinement procedure

Resolution	70.030 - 2.300
R-factor	0.2544
Rwork	0.252
R-free	0.30510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ru8
RMSD bond length	0.011
RMSD bond angle	1.164
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]	70.030	70.020	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.118	0.067	0.413
Rmeas	0.170	0.080	0.602
Rpim	0.096	0.044	0.337
Number of reflections	55296	1832	8311
<I/σ(I)>	5.4		2.1
Completeness [%]	94.0	98.1	96.8
Redundancy	2.9	3.2	2.9
CC(1/2)	0.978	0.992	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277.15	10% PEG 3350, 0.1M sodium sulfate, 0.1M citrate 4.6