8YS9
Crystal structure of Phosphatidylethanolamine N-methyltransferase from R. thermophilum complexed with DMPE and SAH
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-03 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97957 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.042, 77.681, 83.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.770 - 1.460 |
| Rwork | 0.152 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.782 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.770 | 1.488 |
| High resolution limit [Å] | 1.460 | 1.463 |
| Rmerge | 0.105 | |
| Rmeas | 0.109 | |
| Rpim | 0.029 | |
| Number of reflections | 79982 | 3943 |
| <I/σ(I)> | 13.2 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.5 | 13.4 |
| CC(1/2) | 1.000 | 0.322 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.4 M ammonium sulfate, 0.1 M potassium sodium tartrate tetrahydrate, 20% (v/v) polyethylene glycol (PEG) 3350 |
