5A6I
V122I Transthyretin structure in complex with Tolcalpone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 42.484, 62.547, 84.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.310 - 1.860 |
| R-factor | 0.20066 |
| Rwork | 0.197 |
| R-free | 0.27084 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.810 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.870 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.040 | 0.470 |
| Number of reflections | 38169 | |
| <I/σ(I)> | 17.5 | 2.4 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
