8C9T
Catechol O-methyltransferase from Streptomyces avermitilis
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 | 2022-09-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.457, 168.744, 57.242 |
| Unit cell angles | 90.00, 101.49, 90.00 |
Refinement procedure
| Resolution | 46.710 - 1.500 |
| Rwork | 0.167 |
| R-free | 0.19360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.825 |
| 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] | 46.710 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.051 | 0.278 |
| Number of reflections | 131969 | 5286 |
| <I/σ(I)> | 22.6 | |
| Completeness [%] | 96.2 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.999 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M MIB(Malonic acid,Imidazole,Boric acid) pH6.0; 25% PEG1500 |
