4YSJ

Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	93.536, 108.415, 109.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.570 - 2.700
R-factor	0.2486
Rwork	0.246
R-free	0.29170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.563
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.570	38.570	2.820
High resolution limit [Å]	2.680	8.910	2.680
Rmerge	0.363	0.065	3.451
Rpim	0.103	0.020	1.048
Total number of observations	417423	11540	45546
Number of reflections	31660
<I/σ(I)>	6.6	19.6	0.9
Completeness [%]	99.3	98.8	95.2
Redundancy	13.2	11.8	11.4
CC(1/2)	0.994	0.999	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	protein buffer: 25 mM HEPES pH 7.0, 5% glycerol, 500 mM NaCl, 2 mM DTT, 175 ??M EtCDPK1, 17.5 mM MgATP; crystallization buffer: 100 mM BIS/TRIS pH 6.5, 25% PEG 3350, 20 mM CaCl2