3FC8
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOMe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.238, 85.102, 63.064 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.120 - 1.850 |
| R-factor | 0.19628 |
| Rwork | 0.196 |
| R-free | 0.21019 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f86 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.608 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 563.120 | 1.898 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.056 | 0.234 |
| Number of reflections | 18945 | |
| <I/σ(I)> | 32.4 | 8.2 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 9.5 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 287 | 2.0 M ammonium sulfate, 7% glycerol and 0.2 M sodium acetate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
