4A59
Crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (NTPDase3) in complex with AMP
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 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.170, 166.030, 97.940 |
| Unit cell angles | 90.00, 97.15, 90.00 |
Refinement procedure
| Resolution | 42.300 - 2.200 |
| R-factor | 0.1802 |
| Rwork | 0.180 |
| R-free | 0.22770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a57 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.400 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.080 |
| Number of reflections | 142618 | |
| <I/σ(I)> | 7.6 | 2 |
| Completeness [%] | 96.9 | 93.3 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
