3SSN
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg, SAH, and Mycinamycin VI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0331 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.113, 142.111, 83.857 |
| Unit cell angles | 90.00, 105.61, 90.00 |
Refinement procedure
| Resolution | 46.700 - 2.392 |
| R-factor | 0.1681 |
| Rwork | 0.165 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.133 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.392 | 5.170 | 2.392 |
| Rmerge | 0.077 | 0.028 | 0.688 |
| Number of reflections | 64220 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 99.1 | 97.4 | 99.3 |
| Redundancy | 3.4 | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20%-25% PEG 3350, 0.15 M NaCl, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
