2PX2
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH (Monoclinic form 1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.400, 68.300, 82.000 |
| Unit cell angles | 90.00, 98.40, 90.00 |
Refinement procedure
| Resolution | 27.400 - 2.000 |
| R-factor | 0.2039 |
| Rwork | 0.200 |
| R-free | 0.27314 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l9k |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.374 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.071 | 0.245 |
| Number of reflections | 31650 | |
| <I/σ(I)> | 15.5 | 2.6 |
| Completeness [%] | 92.6 | 60 |
| Redundancy | 3.1 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.5mM SAH, 0.2M Calcium chloride, 20% w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
