8C9V
O-methyltransferase from Desulfuromonas acetoxidans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 44.791, 44.791, 204.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.796 - 1.500 |
| Rwork | 0.171 |
| R-free | 0.21730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.773 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.790 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.043 | 0.227 |
| Number of reflections | 34799 | 1667 |
| <I/σ(I)> | 23 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11.1 | |
| CC(1/2) | 1.000 | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M MES/Imidazole pH6.5; 0.03M MgCl2 0.03M CaCl2; 16% Glycerol; 8% PEG4000 |
