8BIH
O-Methyltransferase Plu4890 in complex with SAH and AQ-284b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 91.000, 91.130, 150.410 |
| Unit cell angles | 89.96, 106.18, 119.97 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.2688 |
| Rwork | 0.267 |
| R-free | 0.29620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8bgt |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.152 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.115 | 0.659 |
| Number of reflections | 143304 | 16771 |
| <I/σ(I)> | 6.2 | 1.8 |
| Completeness [%] | 92.4 | 94.2 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.5 M Lithium chloride, 0.1 M Tris pH 8.5, 28% PEG6000 |
