5EIW
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-06-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.260, 184.370, 51.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.020 - 1.611 |
R-factor | 0.1824 |
Rwork | 0.181 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p97 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | XDS ((VERSION December 6 2010)) |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.020 | 1.616 |
High resolution limit [Å] | 1.611 | 1.611 |
Rmerge | 0.068 | |
Number of reflections | 74916 | |
<I/σ(I)> | 14.2 | |
Completeness [%] | 97.1 | 80.1 |
Redundancy | 4.8 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 25% PEG 8000, 100mM Tris, 200mM NaCl, 20mM Trisodium citrate |