6FWD
Crystal structure of human transthyretin double mutant R34G/T119M at pH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 43.127, 63.958, 85.978 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.317 - 1.576 |
| R-factor | 0.1987 |
| Rwork | 0.197 |
| R-free | 0.22880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f41 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.681 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (1.7.3-928) |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.958 | 63.958 | 1.581 |
| High resolution limit [Å] | 1.576 | 7.310 | 1.576 |
| Rmerge | 0.112 | 0.047 | 1.331 |
| Rmeas | 0.122 | 0.052 | 1.433 |
| Rpim | 0.047 | 0.021 | 0.526 |
| Total number of observations | 232010 | 2518 | 2635 |
| Number of reflections | 31271 | 409 | 342 |
| <I/σ(I)> | 15.7 | 36.6 | 2.7 |
| Completeness [%] | 93.0 | 100 | 98.3 |
| Redundancy | 7.4 | 6.2 | 7.7 |
| CC(1/2) | 0.997 | 0.997 | 0.683 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 7% glycerol, 1.3 M sodium citrate, pH 5.5 |
