9H7D
Human Transthyretin in Complex with 2-(phenylamino)benzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 41.149, 84.076, 62.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.340 - 1.230 |
| R-factor | 0.16343 |
| Rwork | 0.162 |
| R-free | 0.18781 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.316 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.960 | 1.262 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Rmerge | 0.061 | 0.342 |
| Rpim | 0.030 | 0.167 |
| Number of reflections | 61779 | 4208 |
| <I/σ(I)> | 11.04 | |
| Completeness [%] | 97.5 | 95.07 |
| Redundancy | 4.8 |
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 |
