6D0W
Structure of human transthyretin complex with analgesic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 113 |
| Detector technology | PIXEL |
| Collection date | 2013-06-03 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.979, 85.405, 65.006 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.430 - 1.700 |
| R-factor | 0.21072 |
| Rwork | 0.208 |
| R-free | 0.26061 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rox |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.008 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.100 | 1.610 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.067 | |
| Rmeas | 0.014 | |
| Rpim | 0.043 | |
| Number of reflections | 35885 | 4266 |
| <I/σ(I)> | 10.4 | 0.5 |
| Completeness [%] | 96.0 | 79.1 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M MES, pH 5.5, PEG 4K, 150 mM AmSO4 |
