6R76
Crystal structure of trans-3-Hydroxy-L-proline dehydratase from Thermococcus litoralis - open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979163 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.923, 46.090, 143.512 |
| Unit cell angles | 90.00, 110.48, 90.00 |
Refinement procedure
| Resolution | 44.800 - 2.400 |
| R-factor | 0.208 |
| Rwork | 0.205 |
| R-free | 0.26450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w61 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.386 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.800 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.063 | 0.410 |
| Number of reflections | 53298 | 5281 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 99.3 | |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Magnesium formate, 15% PEG3350 |
