8BGX
O-Methyltransferase Plu4890 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 | 63.140, 78.370, 167.730 |
| Unit cell angles | 90.00, 96.31, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.1811 |
| Rwork | 0.179 |
| R-free | 0.22040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8bgt |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.148 |
| 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] | 47.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.630 |
| Number of reflections | 124883 | 17928 |
| <I/σ(I)> | 8.1 | 2.2 |
| Completeness [%] | 97.4 | 99 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES pH 6.5, 25% PEG10000 |
