3DH0
Crystal structure of a SAM dependent methyltransferase from Aquifex aeolicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.436, 42.902, 84.253 |
| Unit cell angles | 90.00, 106.74, 90.00 |
Refinement procedure
| Resolution | 40.340 - 2.720 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.29600 |
| Structure solution method | SAD |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.820 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rmerge | 0.070 | 0.260 |
| Number of reflections | 12492 | |
| <I/σ(I)> | 12.7 | 2 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 14.3 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1M Tris pH 8.5, 2M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
