5L8A
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 | P 1 |
| Unit cell lengths | 36.100, 36.280, 55.310 |
| Unit cell angles | 94.12, 105.87, 100.54 |
Refinement procedure
| Resolution | 27.790 - 1.570 |
| R-factor | 0.19388 |
| Rwork | 0.191 |
| R-free | 0.25171 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ff5 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.244 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.300 | 1.660 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.603 | |
| Number of reflections | 33844 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 92.7 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M SPG Buffer pH6 25% PEG 1500 |
