4OQD
Crystal structure of the tylM1 N,N-dimethyltransferase in complex with SAH and TDP-Qui3NMe2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-12 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.98789 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.532, 92.050, 80.177 |
| Unit cell angles | 90.00, 106.10, 90.00 |
Refinement procedure
| Resolution | 41.240 - 1.600 |
| R-factor | 0.18231 |
| Rwork | 0.181 |
| R-free | 0.21602 |
| Structure solution method | PHASER |
| Starting model (for MR) | 3pfh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.025 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.176 |
| Number of reflections | 123048 | |
| <I/σ(I)> | 43.2 | 4.3 |
| Completeness [%] | 91.6 | 79.6 |
| Redundancy | 4.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch | 9 | 293 | 15-20% PEG3400, 200 mM sodium chloride, 5 mM S-adenosylhomocysteine, 10 mM TDP-3-N,N-dimethylamino-3,6-dideoxyglucose, pH 9, batch, temperature 293K |
