4A57
CRYSTAL STRUCTURE OF TOXOPLASMA GONDII NUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 3 (NTPDASE3)
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 | 88.960, 165.940, 97.510 |
| Unit cell angles | 90.00, 97.03, 90.00 |
Refinement procedure
| Resolution | 39.430 - 2.000 |
| R-factor | 0.1745 |
| Rwork | 0.174 |
| R-free | 0.21030 |
| Structure solution method | MIRAS |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | autoSHARP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.390 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.510 |
| Number of reflections | 183360 | |
| <I/σ(I)> | 10.1 | 2.9 |
| Completeness [%] | 97.9 | 97.9 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
