3OFK
Crystal structure of N-methyltransferase NodS from Bradyrhizobium japonicum WM9 in complex with S-adenosyl-l-homocysteine (SAH)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.010, 143.300, 75.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.700 - 1.850 |
| R-factor | 0.19048 |
| Rwork | 0.190 |
| R-free | 0.23764 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.706 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.052 | 0.347 |
| Number of reflections | 72827 | |
| <I/σ(I)> | 24.6 | 2.4 |
| Completeness [%] | 96.0 | 97.8 |
| Redundancy | 5.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 16% PEG 8000, 5 mM magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
