7QRC
X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.969 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.538, 25.416, 56.031 |
| Unit cell angles | 90.00, 105.56, 90.00 |
Refinement procedure
| Resolution | 42.940 - 2.180 |
| R-factor | 0.2717 |
| Rwork | 0.271 |
| R-free | 0.28440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5aon |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.078 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.940 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Number of reflections | 6430 | 527 |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 98.0 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.980 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.21 M MgCl2, 0.1 M Tris pH 8.5, 39% (w/v) PEG 4000 |
