8XE4
norbelladine 4'-O-methyltransferase complexed with Mg, SAH, and norbelladine
This is a non-PDB format compatible entry.
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 | 2022-12-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.04000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.728, 79.668, 92.009 |
| Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
| Resolution | 45.900 - 1.960 |
| R-factor | 0.1719 |
| Rwork | 0.170 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.732 |
| 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] | 45.900 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.139 | 0.669 |
| Number of reflections | 128044 | 4478 |
| <I/σ(I)> | 17.4 | 2.4 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 4.2 | 4.3 |
| CC(1/2) | 0.993 | 0.718 |
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) |
