8XDT
O-methyltransferase from Lycoris longituba M52T variant complexed with Mg and SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-07 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.05200 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 49.854, 81.487, 116.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.850 - 2.650 |
| R-factor | 0.1786 |
| Rwork | 0.176 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.515 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.850 | 2.780 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.231 | 0.830 |
| Number of reflections | 26718 | 1875 |
| <I/σ(I)> | 12.3 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 13 |
| CC(1/2) | 0.994 | 0.918 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 18% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0) |
