3PFG
X-Ray crystal structure the N,N-dimethyltransferase TylM1 from Streptomyces fradiae in complex with SAM and dTDP-phenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-08 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.079, 41.382, 86.637 |
| Unit cell angles | 90.00, 121.21, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.349 |
| R-factor | 0.18469 |
| Rwork | 0.183 |
| R-free | 0.20853 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bxo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.154 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.440 |
| High resolution limit [Å] | 1.349 | 1.349 |
| Rmerge | 0.047 | 0.213 |
| Number of reflections | 55697 | |
| <I/σ(I)> | 13.7 | 2.6 |
| Completeness [%] | 94.3 | 87.5 |
| Redundancy | 3.2 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 22% monomethylether poly(ethylene glycol) 5000, 2% isopropanol, 100mM MOPS, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
