9QRS

Crystal structure of CERK6 extracellular domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-18
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	46.290, 131.580, 53.900
Unit cell angles	90.00, 108.14, 90.00

Refinement procedure

Resolution	43.990 - 1.870
R-factor	0.1759
Rwork	0.175
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.932
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.990	1.920
High resolution limit [Å]	1.860	1.870
Rmerge	0.038	0.994
Rmeas	0.041	1.147
Rpim	0.016	0.552
Number of reflections	49236	2433
<I/σ(I)>	23.5	1.08
Completeness [%]	97.4	67.79
Redundancy	6.7	3.5
CC(1/2)	1.000	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, 28% (w/v) PEG-2000 monomethyl ether