6R6I
Crystal structure of transthyretin mutant A25T in complex with CHF5074, 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 | 2017-05-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.853, 85.809, 64.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.159 - 1.467 |
| R-factor | 0.1732 |
| Rwork | 0.171 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.949 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.159 | 1.520 |
| High resolution limit [Å] | 1.467 | 1.470 |
| Rmerge | 0.043 | 0.782 |
| Rpim | 0.026 | 0.458 |
| Number of reflections | 40925 | 3912 |
| <I/σ(I)> | 17.6 | 1.2 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 6.1 | 5.7 |
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 |
