2PXC
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAM and GTPA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 81.021, 81.021, 94.011 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.800 |
| R-factor | 0.20547 |
| Rwork | 0.203 |
| R-free | 0.25634 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2px2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.253 |
| Data reduction software | DENZO |
| 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 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.141 | 0.695 |
| Number of reflections | 8177 | |
| <I/σ(I)> | 23.2 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.8 | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 12 % w/v PEG 20000, 0.1 M MES pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
