9H7F
Human Transthyretin in Complex with 3,5-dichloroaniline
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97780 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.110, 43.800, 64.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.260 - 1.240 |
| R-factor | 0.15652 |
| Rwork | 0.155 |
| R-free | 0.17765 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.072 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.760 | 1.272 |
| High resolution limit [Å] | 1.230 | 1.240 |
| Rmerge | 0.079 | 0.777 |
| Rpim | 0.033 | 0.344 |
| Number of reflections | 71035 | 4512 |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294.15 | 100 mM HEPES, 200 mM CaCl2, 28% v/v PEG400, pH 7.5 |
