5ALC
Ticagrelor antidote candidate Fab 72 in complex with ticagrelor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-25 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.230, 72.567, 67.765 |
| Unit cell angles | 90.00, 98.92, 90.00 |
Refinement procedure
| Resolution | 49.210 - 1.700 |
| R-factor | 0.1995 |
| Rwork | 0.198 |
| R-free | 0.23670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aqk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 1.870 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.740 |
| Number of reflections | 143002 | |
| <I/σ(I)> | 13.6 | 1.7 |
| Completeness [%] | 97.0 | 95.3 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
