2PXA
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH and GTPG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93400 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.423, 80.280, 84.814 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.19059 |
| Rwork | 0.188 |
| R-free | 0.24576 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2px2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.246 |
| 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 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.091 | 0.662 |
| Number of reflections | 24920 | |
| <I/σ(I)> | 32.6 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.8 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.2 M Ammonium acetate, 0.1 M Sodium acetate pH 4.6, 30 % w/v PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
