8XDR
O-methyltransferase from Lycoris aurea 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 | 49.373, 81.091, 116.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.380 - 1.830 |
R-factor | 0.1684 |
Rwork | 0.167 |
R-free | 0.20450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.038 |
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 | 1.870 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.092 | 1.139 |
Number of reflections | 78525 | 2469 |
<I/σ(I)> | 14.5 | 2.1 |
Completeness [%] | 98.6 | |
Redundancy | 8.3 | |
CC(1/2) | 0.999 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 15% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0) |