3R3H
Crystal structure of O-methyltransferase from Legionella pneumophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 52.254, 52.254, 659.278 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.250 - 2.650 |
| R-factor | 0.265 |
| Rwork | 0.265 |
| R-free | 0.29000 |
| Structure solution method | SAD |
| Starting model (for MR) | None |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.090 | 0.420 |
| Number of reflections | 17267 | |
| <I/σ(I)> | 5 | 3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 25.6 | 21.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2M Li2SO4, 0.1M Tris pH 8.5, 20% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
