8BIB
O-Methyltransferase Plu4890 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 | 2018-04-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.060, 77.050, 167.220 |
| Unit cell angles | 90.00, 95.50, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.2155 |
| Rwork | 0.214 |
| R-free | 0.25160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8bgt |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.126 |
| 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] | 48.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.077 | 0.556 |
| Number of reflections | 68830 | 8321 |
| <I/σ(I)> | 9.1 | 2 |
| Completeness [%] | 96.7 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M NaI, 0.1 M bis-tris propane pH 6.5, 20% PEG3350 |
