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) |
