1TT6
The orthorhombic crystal structure of transthyretin in complex with diethylstilbestrol
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 | 2003-11-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.306, 85.375, 63.429 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f86 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.278 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.700 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.062 | 0.350 |
| Number of reflections | 21979 | |
| <I/σ(I)> | 9.3 | 2.1 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 4.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 287 | Sodium Acetate (0.2M), Ammonium Sulfate (2.4M), glycerol (7%), pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
