5T7O
Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 154.547, 173.540, 174.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.770 - 1.800 |
| R-factor | 0.17906 |
| Rwork | 0.177 |
| R-free | 0.21991 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3inv |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.392 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 86.770 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 213627 |
| <I/σ(I)> | 9.2 |
| Completeness [%] | 99.5 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 298 | TcDHFR-TS 12.5 mg ml-1 in 25 mMTris pH 7.2 and 80 mMNaCl, precipitant solution 12% (w/v) PEG 3350, 100 mM sodium malonate pH 5 |
