3I79

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-22
Detector	MarUSA MarMosaic -325 CCD
Wavelength(s)	0.97923
Spacegroup name	P 1 21 1
Unit cell lengths	48.144, 71.861, 67.265
Unit cell angles	90.00, 102.98, 90.00

Refinement procedure

Resolution	36.890 - 2.040
R-factor	0.215
Rwork	0.213
R-free	0.25800
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.866
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.13)
Refinement software	REFMAC (refmac_5.5.0096)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.040	2.040
Rmerge	0.052	0.670
Number of reflections	28324
<I/σ(I)>	10.4	2.2
Completeness [%]	99.9	100
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	6.5	298	25% PEG 3350, 0.2 M tri-ammonium citrate; cryoprotected with 15% ethylene glycol, pH 6.5, sitting drop vapor diffusion, temperature 298K
1	sitting drop vapor diffusion	6.5	298	25% PEG 3350, 0.2 M tri-ammonium citrate; cryoprotected with 15% ethylene glycol, pH 6.5, sitting drop vapor diffusion, temperature 298K
1	sitting drop vapor diffusion	6.5	298	25% PEG 3350, 0.2 M tri-ammonium citrate; cryoprotected with 15% ethylene glycol, pH 6.5, sitting drop vapor diffusion, temperature 298K