8BII
O-Methyltransferase Plu4895 (mutant H229N) in complex with SAH
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 | 2020-10-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.920, 98.300, 531.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.800 |
| R-factor | 0.23734 |
| Rwork | 0.235 |
| R-free | 0.28129 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8big |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.147 |
| 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] | 49.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.079 | 0.592 |
| Number of reflections | 76974 | 7541 |
| <I/σ(I)> | 12.1 | 2.3 |
| Completeness [%] | 99.4 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M Sodium citrate, 0.1 M bis-tris propane pH 7.5, 20% PEG3350 |
