3HX4

Crystal structure of CDPK1 of Toxoplasma gondii, TGME49_101440, in presence of calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-05-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	49.236, 95.605, 101.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.212
Rwork	0.209
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.194
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.063	0.997
Number of reflections	41316
<I/σ(I)>	31.262	1.23
Completeness [%]	99.0	90.8
Redundancy	5.5	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	25 % PEG 3350, 0.2 M LiSO4, Tris-HCl pH 8.0, 2 mM AMPPNP, 2 mM CaCl2, 4 mM MgCl2, 6.25 mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K