5N8V
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 ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.760, 116.060, 38.820 |
| Unit cell angles | 90.00, 101.86, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| R-factor | 0.19609 |
| Rwork | 0.195 |
| R-free | 0.21748 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.239 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.990 | 1.576 |
| High resolution limit [Å] | 1.549 | 1.549 |
| Rmerge | 0.029 | 0.458 |
| Number of reflections | 44009 | 2174 |
| <I/σ(I)> | 17.7 | 2.2 |
| Completeness [%] | 98.2 | 97.7 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 1.000 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 0.2M Sodium Sulfate 0.1M Bis Tris Propane pH 7.5 20% PEG 3350 |
