6KHD

Crystal structure of CLK1 in complex with CX-4945

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-07
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	56.529, 115.675, 90.608
Unit cell angles	90.00, 100.38, 90.00

Refinement procedure

Resolution	31.935 - 2.700
R-factor	0.2045
Rwork	0.200
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.285
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.673	5.810	2.700
Rmerge	0.159	0.070
Rmeas	0.172	0.077
Rpim	0.083	0.031
Number of reflections	32073	3245	3172
<I/σ(I)>	8.2
Completeness [%]	99.8	98.8	99.7
Redundancy	7	6.4	7.1
CC(1/2)		0.996	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	8% (v/v) Tacsimate, 18% (w/v) PEG 3350, 3% (v/v) Glycerol