6R67
Crystal structure of transthyretin in complex with CHF5075, a flurbiprofen analogue
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 | 2017-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.319, 84.965, 63.891 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.910 - 1.300 |
| R-factor | 0.18186 |
| Rwork | 0.181 |
| R-free | 0.20461 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.850 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.320 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.081 | 0.818 |
| Rpim | 0.034 | 0.359 |
| Number of reflections | 57493 | 2817 |
| <I/σ(I)> | 20.5 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.3 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.2 M ammonium sulfate, 0.1M KCl, 30 mM sodium phosphate, pH 7.0 |
