7OPJ
Trypanosoma brucei PTR1 (TbPTR1) in complex with pyrimethamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.900, 91.030, 82.800 |
| Unit cell angles | 90.00, 115.63, 90.00 |
Refinement procedure
| Resolution | 18.070 - 1.340 |
| R-factor | 0.1323 |
| Rwork | 0.130 |
| R-free | 0.17390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tbx |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.076 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.280 | 1.410 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.056 | 0.345 |
| Rmeas | 0.071 | 0.440 |
| Rpim | 0.042 | 0.270 |
| Number of reflections | 210248 | 30679 |
| <I/σ(I)> | 7.6 | 2.3 |
| Completeness [%] | 93.9 | 94.2 |
| Redundancy | 2.3 | 2.2 |
| CC(1/2) | 0.998 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 294 | 2-2.5M sodium acetate, 0.1M sodium citrate, pH 5 |
