6FYI

X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	39.444, 76.531, 111.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.460 - 2.600
R-factor	0.2186
Rwork	0.218
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nr9
RMSD bond length	0.006
RMSD bond angle	0.852
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.460	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.140	0.666
Rmeas	0.153	0.726
Number of reflections	10909
<I/σ(I)>	10.9	2.7
Completeness [%]	99.5	99.9
Redundancy	6.3	6.4
CC(1/2)	0.994	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG3350, 0.1M HEPES