8Z8P
norbelladine 4'-O-methyltransferase S52M variant 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 | 2023-03-04 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.03500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.494, 79.948, 91.634 |
| Unit cell angles | 90.00, 93.72, 90.00 |
Refinement procedure
| Resolution | 45.720 - 1.680 |
| R-factor | 0.1569 |
| Rwork | 0.156 |
| R-free | 0.17900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.927 |
| 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] | 45.720 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.071 | 0.567 |
| Number of reflections | 105592 | 5229 |
| <I/σ(I)> | 12.1 | 2.1 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 4.3 | 4.4 |
| CC(1/2) | 0.998 | 0.735 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 26% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0) |
