8XE3
norbelladine 4'-O-methyltransferase 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 | 2022-05-20 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.05200 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 49.548, 80.096, 115.771 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.920 - 1.720 |
R-factor | 0.1616 |
Rwork | 0.160 |
R-free | 0.19890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.037 |
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] | 46.920 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.069 | 0.829 |
Number of reflections | 92520 | 2441 |
<I/σ(I)> | 17.4 | 2.2 |
Completeness [%] | 98.1 | 94.1 |
Redundancy | 8.4 | 7.6 |
CC(1/2) | 0.999 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0) |