6FYL

X-ray structure of CLK2-KD(136-496)/CX-4945 at 1.95A

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	2016-04-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	39.631, 75.997, 111.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.570 - 1.950
R-factor	0.1895
Rwork	0.188
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fyi
RMSD bond length	0.008
RMSD bond angle	1.104
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.570	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.100	0.887
Rmeas	0.109	0.966
Number of reflections	25359
<I/σ(I)>	15.4	2.5
Completeness [%]	99.7	99.8
Redundancy	6.5	6.3
CC(1/2)	0.998	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	30% Jeffamine ED-2001, 0.1M HEPES