7D6M
Crystal structure of tick-borne encephalitis virus methyltransferase
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 | 2017-12-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.027, 49.468, 85.274 |
| Unit cell angles | 79.66, 82.78, 77.07 |
Refinement procedure
| Resolution | 38.840 - 1.894 |
| R-factor | 0.2248 |
| Rwork | 0.223 |
| R-free | 0.27060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oxt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.922 |
| Data reduction software | XSCALE |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.620 | 47.620 | 1.940 |
| High resolution limit [Å] | 1.890 | 9.080 | 1.890 |
| Rmerge | 0.057 | 0.032 | 0.368 |
| Rmeas | 0.081 | 0.045 | 0.521 |
| Rpim | 0.057 | 0.032 | 0.368 |
| Total number of observations | 74024 | 723 | 4551 |
| Number of reflections | 38316 | 379 | 2416 |
| <I/σ(I)> | 8.8 | 17.5 | 3 |
| Completeness [%] | 88.1 | 95.5 | 84.7 |
| Redundancy | 1.9 | 1.9 | 1.9 |
| CC(1/2) | 0.991 | 0.996 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 289 | PEG 8000, glycerol |
