3DK2
Crystal structure of transthyretin variant Y114H at acidic pH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.341, 85.784, 62.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.700 - 2.350 |
| R-factor | 0.21875 |
| Rwork | 0.217 |
| R-free | 0.24701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f41 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.552 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.750 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.069 | 0.394 |
| Number of reflections | 9985 | |
| <I/σ(I)> | 17.1 | 3.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 295 | Na Citrate 0.1 M, Ammonium sulfate 2M , pH 4.6, VAPOR DIFFUSION, temperature 295K |
