4A5B
Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDase1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.730, 150.400, 242.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.220 - 2.480 |
| R-factor | 0.1767 |
| Rwork | 0.176 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.340 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.100 | 0.100 |
| Number of reflections | 47598 | |
| <I/σ(I)> | 11.9 | 3 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 4.4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100 MM TRIS PH 8.2, 50 MM MGCL2, 25% PENTAERYTHRITOL ETHOXYLATE (17/8 PO/OH), 2 MM AMPPNP AND 10 MM MAGNESIUM ACETATE |
