6QE6
Structure of M. capricolum TrmK in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-13 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.760, 131.090, 58.470 |
| Unit cell angles | 90.00, 103.88, 90.00 |
Refinement procedure
| Resolution | 42.909 - 2.360 |
| R-factor | 0.1881 |
| Rwork | 0.185 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4blv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.906 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.910 | 2.440 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.272 | |
| Number of reflections | 24468 | |
| <I/σ(I)> | 5.47 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Li2SO4, 0.1 M HEPES pH 7.5, 25% (w/v) PEG3350 |
