3EMD
Wesselsbron virus Methyltransferase in complex with Sinefungin and 7MeGpppA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.057, 61.157, 128.831 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.210 - 2.000 |
R-factor | 0.16457 |
Rwork | 0.162 |
R-free | 0.21466 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3elu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.224 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.370 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.094 | 0.293 |
Number of reflections | 20462 | |
<I/σ(I)> | 11.5 | 4.6 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 1mM Sinefungin, 1mM 7MeGpppA, 10% PEG 4000, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |