5EHI
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF287
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 | 2014-07-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.895, 185.566, 51.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.000 - 1.303 |
R-factor | 0.1914 |
Rwork | 0.190 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p97 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.860 | 1.306 |
High resolution limit [Å] | 1.302 | 1.302 |
Rmerge | 0.145 | 1.102 |
Number of reflections | 142973 | |
<I/σ(I)> | 12.8 | 2.1 |
Completeness [%] | 99.7 | 94.3 |
Redundancy | 7.9 | 4.9 |
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 |