6RCG

Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9200
Spacegroup name	C 1 2 1
Unit cell lengths	88.040, 53.550, 72.170
Unit cell angles	90.00, 113.45, 90.00

Refinement procedure

Resolution	29.630 - 1.400
R-factor	0.1442
Rwork	0.142
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hnf
RMSD bond length	0.016
RMSD bond angle	1.656
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.209	29.631	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge		0.040	0.462
Rmeas	0.060	0.047	0.546
Rpim	0.031	0.024	0.286
Number of reflections	58592	1978	8620
<I/σ(I)>	12	29.4	2.4
Completeness [%]	96.7	98.7	97.5
Redundancy	3.6	3.9	3.5
CC(1/2)	0.998		0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	20% PEG3350, 0.1M succinic acid