4OQE
Crystal structure of the tylM1 N,N-dimethyltransferase in complex with SAH and TDP-Fuc3NMe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-10 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.885, 92.938, 77.879 |
| Unit cell angles | 90.00, 97.29, 90.00 |
Refinement procedure
| Resolution | 29.050 - 2.200 |
| R-factor | 0.21864 |
| Rwork | 0.215 |
| R-free | 0.27695 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oqd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.702 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.057 | 0.140 |
| Number of reflections | 24812 | |
| <I/σ(I)> | 14 | 3.7 |
| Completeness [%] | 86.5 | 71.8 |
| Redundancy | 3.2 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 9 | 295 | 15-20% PEG3400, 200 mM sodium chloride, 5 mM S-adenosylhomocysteine, 10 mM TDP-3-N-methylamino-3,6-dideoxygalactose, pH 9, BATCH, temperature 295K |
