8XE0
O-methyltransferase from Lycoris longituba M52W 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 | 2022-06-03 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.04800 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 50.421, 80.862, 116.597 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.290 - 2.200 |
R-factor | 0.2044 |
Rwork | 0.203 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.555 |
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] | 47.290 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.082 | 1.156 |
Number of reflections | 46653 | 2124 |
<I/σ(I)> | 15 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.2 | 8.5 |
CC(1/2) | 0.999 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 14% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0) |