4O1F
Structure of a methyltransferase component in complex with THF involved in O-demethylation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 90.190, 118.240, 57.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.610 - 1.800 |
| R-factor | 0.209 |
| Rwork | 0.207 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o0q |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.226 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.620 | 1.847 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 57921 | |
| Completeness [%] | 99.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 277.15 | 100mM Tris pH 7.5, 100mM succinic acid, 15%(v/v) PEG3350, 4mM THF, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
