4Y5Q

Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9797
Spacegroup name	P 1 21 1
Unit cell lengths	60.070, 55.890, 81.450
Unit cell angles	90.00, 104.79, 90.00

Refinement procedure

Resolution	39.380 - 2.000
R-factor	0.1855
Rwork	0.183
R-free	0.22960
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.017
RMSD bond angle	1.806
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	REFMAC (5.8.0073)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.272	40.272	2.100
High resolution limit [Å]	1.994	6.310	1.990
Rmerge		0.033	0.651
Rmeas	0.085
Rpim	0.043	0.023	0.419
Total number of observations	132992	4122	19114
Number of reflections	34688
<I/σ(I)>	8.5	22.9	1.6
Completeness [%]	97.0	97.5	95.1
Redundancy	3.8	3.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	27% PEG 3350, 0.27 M ammonium tartrate (pH 7.0), 6% PEG 400, 5 mM TCEP, 4 mM MgCl2, 2 mM CaCl2, 2 mM AMP