8XE2
O-methyltransferase from Lycoris longituba D230A variant complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde
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 | 2022-06-14 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.04800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.514, 81.596, 116.427 |
| Unit cell angles | 90.00, 91.37, 90.00 |
Refinement procedure
| Resolution | 47.380 - 2.430 |
| R-factor | 0.2138 |
| Rwork | 0.207 |
| R-free | 0.24040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.551 |
| 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] | 47.380 | 2.520 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.085 | 0.531 |
| Number of reflections | 67489 | 3709 |
| <I/σ(I)> | 10.7 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.4 |
| CC(1/2) | 0.995 | 0.691 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 11% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 7.0) |
