5IQ6
Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97980 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 162.000, 180.900, 58.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 3.000 |
| R-factor | 0.19444 |
| Rwork | 0.191 |
| R-free | 0.26092 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.842 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 3.080 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 17202 | |
| <I/σ(I)> | 9.65 | 1.8 |
| Completeness [%] | 97.8 | 99.4 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES pH7.5, PAA (poly acrilic acid) 20%, MgCl2 20 mM |
