6XD0
Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-434
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 161.660, 176.240, 57.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.012 |
| R-factor | 0.1759 |
| Rwork | 0.175 |
| R-free | 0.19350 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.10.3 (3-OCT-2019)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 88.122 | 88.122 | 2.018 |
| High resolution limit [Å] | 2.012 | 9.333 | 2.012 |
| Rmerge | 0.051 | 0.031 | 0.603 |
| Rmeas | 0.056 | 0.035 | 0.654 |
| Rpim | 0.022 | 0.014 | 0.251 |
| Total number of observations | 364116 | 3208 | 3704 |
| Number of reflections | 54522 | 639 | 555 |
| <I/σ(I)> | 20.1 | 46 | 3.1 |
| Completeness [%] | 98.6 | 99.2 | 99.1 |
| Redundancy | 6.7 | 5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Tris.HCl pH 8.2 to 8.4, 26 to 28 % PEG 550 MME |
