2PX4
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH (Monoclinic form 2)
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) | 0.97650 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.400, 68.200, 50.200 |
| Unit cell angles | 90.00, 115.60, 90.00 |
Refinement procedure
| Resolution | 26.440 - 2.200 |
| R-factor | 0.16463 |
| Rwork | 0.161 |
| R-free | 0.22927 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2px2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.037 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.091 | 0.273 |
| Number of reflections | 13890 | |
| <I/σ(I)> | 13.8 | 2.8 |
| Completeness [%] | 96.5 | 77.2 |
| Redundancy | 5.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.6 M Magnesium sulfate, 0.1 M MES pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
