6GD4
Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-03 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.96600 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.720, 90.410, 82.890 |
| Unit cell angles | 90.00, 115.62, 90.00 |
Refinement procedure
| Resolution | 34.540 - 1.420 |
| R-factor | 0.17444 |
| Rwork | 0.174 |
| R-free | 0.19060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jdc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.586 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.540 | 1.500 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.057 | 0.353 |
| Rmeas | 0.070 | 0.431 |
| Rpim | 0.040 | 0.244 |
| Number of reflections | 183207 | 26845 |
| <I/σ(I)> | 9.9 | 3 |
| Completeness [%] | 98.1 | 98.6 |
| Redundancy | 2.6 | 2.7 |
| CC(1/2) | 0.997 | 0.895 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 297 | 2-2.5 M sodium acetate, 0.1 M sodium citrate, pH5 |
