9H7A
Human Transthyretin in Complex with 3,5-Dichlorobenzenesulfonamide
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) | 0.9778 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.540, 43.450, 64.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.570 - 1.760 |
| R-factor | 0.19622 |
| Rwork | 0.195 |
| R-free | 0.22649 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.806 |
| 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] | 64.630 | 1.807 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.113 | 1.339 |
| Rpim | 0.047 | 0.554 |
| Number of reflections | 24574 | 1551 |
| <I/σ(I)> | 18.9 | 3.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 100 mM HEPES, 200 mM CaCl2, 28% v/v PEG400, pH 7.5 |
