7D6N
Crystal structure of tick-borne encephalitis virus RNA-dependent RNA polymerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-12-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 175.988, 235.181, 327.433 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.987 - 3.168 |
| R-factor | 0.1972 |
| Rwork | 0.195 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k6m |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.326 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829_000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.270 |
| High resolution limit [Å] | 3.160 | 6.800 | 3.160 |
| Rmerge | 0.082 | 0.026 | 0.642 |
| Rmeas | 0.098 | 0.031 | 0.770 |
| Rpim | 0.054 | 0.017 | 0.419 |
| Total number of observations | 721646 | ||
| Number of reflections | 225446 | 22501 | 22607 |
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 98.3 | 94.9 | 99.5 |
| Redundancy | 3.2 | 3.1 | 3.3 |
| CC(1/2) | 0.999 | 0.628 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 278 | 5/4 PO/OH, magnesium sulfate |
