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 |