5L87
Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2013-10-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.87260 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 43.030, 37.260, 42.460 |
| Unit cell angles | 90.00, 117.89, 90.00 |
Refinement procedure
| Resolution | 37.530 - 0.870 |
| R-factor | 0.13014 |
| Rwork | 0.129 |
| R-free | 0.14538 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ff5 |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.391 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 90.000 |
| High resolution limit [Å] | 0.860 |
| Number of reflections | 203174 |
| <I/σ(I)> | 18.23 |
| Completeness [%] | 95.6 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 SPG Buffer pH 9.0 25% PEG 1500 |
