5E9Q
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF174
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979338 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.950, 183.470, 51.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.839 - 1.790 |
| R-factor | 0.1687 |
| Rwork | 0.167 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p97 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (BUSTER 2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.839 | 1.793 |
| High resolution limit [Å] | 1.787 | 1.787 |
| Rmerge | 0.055 | 0.442 |
| Number of reflections | 54995 | |
| <I/σ(I)> | 14.3 | 2.1 |
| Completeness [%] | 99.2 | 98.3 |
| Redundancy | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 25% PEG 8000, 100 mM Tris, 200 mM NaCl, 20 mM tri-Sodium citrate |
