6FXU
Crystal structure of human transthyretin mutant 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 PILATUS3 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 86.075, 43.183, 63.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.834 - 1.359 |
| R-factor | 0.1931 |
| Rwork | 0.192 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f41 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (1.7.3-928) |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.834 | 63.834 | 1.364 |
| High resolution limit [Å] | 1.359 | 6.307 | 1.359 |
| Rmerge | 0.042 | 0.024 | 1.031 |
| Rmeas | 0.045 | 0.026 | 1.123 |
| Rpim | 0.017 | 0.011 | 0.438 |
| Total number of observations | 350886 | 4136 | 3258 |
| Number of reflections | 46691 | 613 | 493 |
| <I/σ(I)> | 22.4 | 65.3 | 2 |
| Completeness [%] | 89.8 | 100 | 95.4 |
| Redundancy | 7.5 | 6.7 | 6.6 |
| CC(1/2) | 1.000 | 0.999 | 0.595 |
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. |
