5HMY
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 160.880, 177.110, 58.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.170 - 2.100 |
| R-factor | 0.1852 |
| Rwork | 0.184 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hhj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | BUSTER-TNT |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 119.085 | 47.083 | 2.210 |
| High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
| Rmerge | 0.032 | 0.480 | |
| Number of reflections | 48496 | ||
| <I/σ(I)> | 9.8 | 19.4 | 1.5 |
| Completeness [%] | 99.3 | 99.1 | 98.7 |
| Redundancy | 3.9 | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M TRIS, 25% PEG 550 MME |
