8BIR
O-Methyltransferase Plu4895 in complex with SAH and AQ-256
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 | 2020-11-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.060, 40.130, 119.290 |
| Unit cell angles | 90.00, 92.47, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.26697 |
| Rwork | 0.265 |
| R-free | 0.30113 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8big |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.182 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.084 | 0.683 |
| Number of reflections | 25372 | 2905 |
| <I/σ(I)> | 9.9 | 2 |
| Completeness [%] | 97.8 | 98.3 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M Ammonium iodide, 20% PEG3350 |
