6FYP

X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/CX-4945 AT 2.29A

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	2016-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99993
Spacegroup name	C 1 2 1
Unit cell lengths	91.197, 61.998, 73.328
Unit cell angles	90.00, 97.10, 90.00

Refinement procedure

Resolution	19.280 - 2.290
R-factor	0.2295
Rwork	0.228
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3raw
RMSD bond length	0.009
RMSD bond angle	1.174
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.280	2.350
High resolution limit [Å]	2.290	2.290
Rmerge	0.042	0.284
Rmeas	0.050	0.360
Number of reflections	17782
<I/σ(I)>	18.4	2.7
Completeness [%]	96.7	70.1
Redundancy	3.3	2.3
CC(1/2)	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	25% PEG3350,0.2M Ammonium Sulfate, 0.1M TRIS