3NUT
Crystal structure of the methyltransferase CobJ
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Detector technology | CCD |
| Collection date | 2008-12-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9808 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.640, 110.990, 116.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.560 - 2.220 |
| R-factor | 0.2182 |
| Rwork | 0.216 |
| R-free | 0.26363 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.567 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.560 | 2.340 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.081 | 0.525 |
| Number of reflections | 54689 | |
| <I/σ(I)> | 2.6 | |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M calcium acetate hydrate, 0.1 M sodium cacodylate trihydrate pH6.5 and 18% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
