3PFH
X-Ray crystal structure the N,N-dimethyltransferase TylM1 from Streptomyces fradiae in complex with SAH and dTDP-Quip3N
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-22 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.624, 41.123, 87.293 |
| Unit cell angles | 90.00, 117.93, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.792 |
| R-factor | 0.2118 |
| Rwork | 0.209 |
| R-free | 0.26640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pfg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.098 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.085 | 0.436 |
| Number of reflections | 50868 | |
| <I/σ(I)> | 10.2 | 1.8 |
| Completeness [%] | 98.5 | 93.2 |
| Redundancy | 4.2 | 2.4 |
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 |
