8RIB
N-terminal domain of Trypanosoma brucei PEX14 in complex with a pyrazolo-pyrazolo[4,3-c]pyridin-3-yl compound showing a novel binding pose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 56.009, 45.742, 52.616 |
| Unit cell angles | 90.00, 118.87, 90.00 |
Refinement procedure
| Resolution | 46.078 - 1.126 |
| Rwork | 0.126 |
| R-free | 0.16190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.833 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.080 | 3.410 |
| High resolution limit [Å] | 1.126 | 1.126 |
| Number of reflections | 35511 | 1642 |
| <I/σ(I)> | 14.7 | |
| Completeness [%] | 89.6 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.990 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M sodium malonate dibasic monohydrate 20% (w/v) PEG 3350 |
