7QRB

Crystal structure of CK1 delta in complex with PK-09-129

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-16
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	49.123, 84.588, 89.281
Unit cell angles	71.08, 74.10, 87.22

Refinement procedure

Resolution	49.530 - 2.600
R-factor	0.2305
Rwork	0.228
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ru8
RMSD bond length	0.010
RMSD bond angle	1.191
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.530	49.530	2.740
High resolution limit [Å]	2.600	8.220	2.600
Rmerge	0.127	0.048	0.469
Rmeas	0.185	0.057	0.690
Rpim	0.098	0.030	0.367
Number of reflections	37749	1256	5589
<I/σ(I)>	6.4		2.1
Completeness [%]	93.9	99.2	95.3
Redundancy	3.4	3.4	3.4
CC(1/2)	0.986	0.997	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277.15	10% PEG 3350, 0.1M sodium sulfate, 0.1M citrate 5.0