4YSM

Calcium-Dependent Protein Kinase from Eimeria tenella

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-25
Detector	PSI PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 1 21 1
Unit cell lengths	66.669, 109.556, 77.729
Unit cell angles	90.00, 92.17, 90.00

Refinement procedure

Resolution	38.840 - 3.190
R-factor	0.2311
Rwork	0.228
R-free	0.28040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q5i
RMSD bond length	0.010
RMSD bond angle	1.445
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.840	38.840	3.410
High resolution limit [Å]	3.190	9.030	3.190
Rmerge	0.497	0.056	2.994
Rpim	0.203	0.024	1.245
Total number of observations	127487	5687	21860
Number of reflections	18399
<I/σ(I)>	5.6	23.2	1
Completeness [%]	98.8	97.5	97.9
Redundancy	6.9	6.8	6.7
CC(1/2)	0.976	0.997	0.254

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	protein buffer: 25 mM HEPES pH 7.0, 5% glycerol, 500 mM NaCl, 2 mM DTT, 175 uM EtCDPK1; crystallization buffer: 100 mM BIS/TRIS pH 6.5, 23% PEG 3350