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 |