8BGZ
O-Methyltransferase Plu4890 (mutant H229N) 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 | 2020-07-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.350, 77.590, 167.600 |
| Unit cell angles | 90.00, 95.27, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.20970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8bgt |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.140 |
| 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 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | 0.506 |
| Number of reflections | 107159 | 14700 |
| <I/σ(I)> | 8.5 | 2.4 |
| Completeness [%] | 97.9 | 99 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M Sodium nitrate, 0.1 M bis-tris propane pH 6.5, 20 % PEG3350 |
