9H08
Crystal structure of Halide methyltransferase from Tulasnella calospora in complex with SAH at room temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2024-05-09 |
| Detector | DECTRIS EIGER2 X 4M |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 59.928, 59.928, 231.728 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.020 - 2.360 |
| R-factor | 0.2062 |
| Rwork | 0.203 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.979 |
| Data reduction software | xia2.multiplex |
| Data scaling software | xia2.multiplex |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.930 | 2.400 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 1.176 | |
| Rmeas | 1.179 | |
| Rpim | 0.086 | |
| Number of reflections | 18424 | 910 |
| <I/σ(I)> | 14.6 | 0.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 185.8 | |
| CC(1/2) | 0.999 | 0.358 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium citrate, 1 M LiCl, 24.533-25 % w/v PEG 6K |
