8WIL
Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D55 construct)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 289 |
| Detector technology | PIXEL |
| Collection date | 2019-12-31 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.519, 89.185, 121.768 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.760 - 2.100 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.20690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house model determined by SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.851 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.000 | 60.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.096 | 0.046 | 0.508 |
| Rmeas | 0.098 | 0.047 | 0.522 |
| Rpim | 0.022 | 0.011 | 0.119 |
| Total number of observations | 759365 | ||
| Number of reflections | 40074 | 4254 | 3935 |
| <I/σ(I)> | 6.4 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 18.9 | 17.9 | 19.1 |
| CC(1/2) | 1.000 | 0.999 | 0.968 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 289 | magnesium chloride, HEPES pH7.5, PEG3350 |
