2B16
The crystal structure of 2,4-dinitrophenol in complex with the amyloidogenic variant Transthyretin Tyr78Phe
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 | 2004-07-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.542, 85.869, 63.603 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.750 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f86 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.337 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.069 | 1.840 |
| High resolution limit [Å] | 1.748 | 1.750 |
| Rmerge | 0.061 | 0.231 |
| Number of reflections | 23470 | |
| <I/σ(I)> | 8.4 | 3.6 |
| Completeness [%] | 97.8 | 97.8 |
| Redundancy | 5.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 287 | Ammonium Sulfate, glycerol, sodium acetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
