8BID
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-270a
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 | 2022-02-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.400, 77.670, 167.330 |
| Unit cell angles | 90.00, 95.49, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.1819 |
| Rwork | 0.180 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8bgt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.287 |
| 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 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.083 | 0.626 |
| Number of reflections | 159145 | 24786 |
| <I/σ(I)> | 7.1 | 2 |
| Completeness [%] | 97.6 | 99.5 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 25 % PEG4000 |
