5ALB
Ticagrelor antidote candidate MEDI2452 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 | 2014-06-13 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.310, 173.490, 42.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.000 - 2.160 |
| R-factor | 0.2162 |
| Rwork | 0.214 |
| R-free | 0.25920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aqk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.250 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.400 | 2.050 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.100 | 1.310 |
| Number of reflections | 36570 | |
| <I/σ(I)> | 10.7 | 1.1 |
| Completeness [%] | 99.4 | 94.9 |
| Redundancy | 6.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
