2B14
The crystal structure of 2,4-dinitrophenol in complex with the amyloidogenic variant Transthyretin Leu 55 Pro
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.550, 84.247, 63.397 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f86 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.620 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.850 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.073 | 0.178 |
| Number of reflections | 16093 | |
| <I/σ(I)> | 6.5 | 4.2 |
| Completeness [%] | 99.1 | 93.7 |
| Redundancy | 5.9 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287 | PEG550, Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
