5CLX
X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 42.774, 85.802, 64.153 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.900 - 1.280 |
| R-factor | 0.1509 |
| Rwork | 0.149 |
| R-free | 0.17580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pvl |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.052 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.153 | 42.901 | 1.350 |
| High resolution limit [Å] | 1.280 | 4.050 | 1.280 |
| Rmerge | 0.047 | 1.076 | |
| Rmeas | 0.072 | ||
| Rpim | 0.032 | 0.025 | 0.531 |
| Total number of observations | 299781 | 9893 | 43037 |
| Number of reflections | 61400 | ||
| <I/σ(I)> | 11 | 31.4 | 1.4 |
| Completeness [%] | 99.7 | 99.4 | 99.6 |
| Redundancy | 4.9 | 4.7 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2.1M di-sodium malonate |
