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 |