6KHE

Crystal structure of CLK2 in complex with CX-4945

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	75.627, 75.627, 161.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.456 - 2.800
R-factor	0.2025
Rwork	0.196
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.189	0.073	1.367
Rmeas	0.195	0.075	1.405
Rpim	0.045	0.018	0.323
Total number of observations	226791
Number of reflections	12244	1370	1190
<I/σ(I)>	3
Completeness [%]	100.0	100	100
Redundancy	18.5	16.4	18.6
CC(1/2)		0.998	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1M Bis-Tris pH 5.5, 0.2M MgCl2, 25% (w/v) PEG 3350