4KH4
Toxoplasma gondii NTPDase1 C258S/C268S in complex with Mg and AMPPNP
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 | 74.156, 148.267, 242.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.940 - 3.000 |
| R-factor | 0.2039 |
| Rwork | 0.202 |
| R-free | 0.23080 |
| Structure solution method | Refined with Refmac and PDB-ID 4A5B |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.120 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 27204 | |
| Completeness [%] | 99.8 | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 292 | 100 mM Tris (pH 8.2), 50 mM MgCl2, 23% (v/v) pentaerythritol propoxylate (17/8 PO/OH), 10 mM AMPNP, 10 mM magnesium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
