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 |