1Y1D
Crystal structure of transthyretin in complex with iododiflunisal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.313, 85.844, 64.865 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID: 1F86 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.280 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.844 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.102 | 0.211 |
| Number of reflections | 26934 | |
| <I/σ(I)> | 13.6 | 4.5 |
| Completeness [%] | 98.6 | 93 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 287 | 0.2M sodium citrate, 2.4M ammonium sulfate, 6% glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
