3DUL
Crystal Structure Analysis of the O-methyltransferase from Bacillus cereus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97929, 0.97942, 0.97162 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.900, 64.400, 86.300 |
| Unit cell angles | 90.00, 133.70, 90.00 |
Refinement procedure
| Resolution | 19.950 - 1.800 |
| Rwork | 0.239 |
| R-free | 0.28000 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 2.937 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.359 |
| Number of reflections | 40986 | |
| <I/σ(I)> | 6 | 4.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | 0.1M citric acid, 1.0M LiCl, 2% PEG 6000, 3% dioxane as an additive, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
