6FYR

X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/Cpd-2 AT 1.42A

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	C 1 2 1
Unit cell lengths	108.932, 44.929, 83.635
Unit cell angles	90.00, 114.82, 90.00

Refinement procedure

Resolution	19.520 - 1.420
R-factor	0.1767
Rwork	0.176
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fyp
RMSD bond length	0.007
RMSD bond angle	1.078
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.520	1.460
High resolution limit [Å]	1.420	1.420
Rmerge	0.049	0.453
Rmeas	0.058	0.537
Total number of observations	230080
Number of reflections	68259
<I/σ(I)>	14.2	2.7
Completeness [%]	98.0	96.2
Redundancy	3.4	3.4
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG4000, 0.1M HEPES