6R66
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 | 42.300, 84.900, 63.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.450 - 1.300 |
| R-factor | 0.18038 |
| Rwork | 0.180 |
| R-free | 0.19241 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.929 |
| 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] | 42.450 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.040 | 0.681 |
| Rpim | 0.025 | 0.423 |
| Number of reflections | 57271 | 2813 |
| <I/σ(I)> | 18.7 | 2.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.2 M ammonium sulfate, 0.1M KCl, 30 mM sodium phosphate, pH 7.0 |
