4KH6

Toxoplasma gondii NTPDase1 C258S/C268S E493G crystallized with Mg and AMPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-05
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	C 2 2 21
Unit cell lengths	73.710, 150.240, 241.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.190 - 2.400
R-factor	0.1705
Rwork	0.170
R-free	0.21310
Structure solution method	Refined with PDB-ID 4A5B
RMSD bond length	0.010
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.190	2.530
High resolution limit [Å]	2.400	2.400
Number of reflections	52805
Completeness [%]	99.8	99.2
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	292	100 mM Tris (pH 8.8), 50 mM MgCl2, 25% (v/v) pentaerythritol propoxylate (17/8 PO/OH), 10 mM AMPNP, 10 mM magnesium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 292K