4WNS
Crystal structure of Transthyretin complexed with pterostilbene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-23 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.702, 85.583, 64.153 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.790 - 1.399 |
| R-factor | 0.1685 |
| Rwork | 0.168 |
| R-free | 0.18580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wnj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.314 |
| Refinement software | PHENIX ((phenix.refine: dev_1647)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.791 | 1.470 |
| High resolution limit [Å] | 1.399 | 1.399 |
| Rmerge | 0.026 | 0.536 |
| Number of reflections | 47156 | |
| <I/σ(I)> | 36.9 | 3.8 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 6.4 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | The protein (5 mg/ml) was in 20 mM sodium phosphate at pH 7. Reservoir solution: 2.0 M ammonium sulfate, 0.1 M KCl, 0.05 M sodium phosphate, pH 7.0 |
