4M97

Calcium-Dependent Protein Kinase 1 from Neospora caninum

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	2013-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97939
Spacegroup name	P 1 21 1
Unit cell lengths	48.060, 72.690, 65.750
Unit cell angles	90.00, 96.98, 90.00

Refinement procedure

Resolution	60.000 - 2.050
R-factor	0.2064
Rwork	0.203
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.431
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.263	65.260	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.107	0.014	0.014
Total number of observations		1314	8335
Number of reflections	27308
<I/σ(I)>	6.3	20.8	0.9
Completeness [%]	96.6	94.7	97.7
Redundancy	3.9	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	protein solution: 25 mM HEPES pH 7.0, 0.5 M NaCl, 5% glycerol, 5 mM DTT, 20 mM EGTA, 3mg/ml protein; crystallization buffer: 30% PEG 3350, 0.2 M ammonium citrate, 0.1 M BisTris pH 5.3, 5 mM DTT, vapor diffusion, sitting drop, temperature 298K