8JED
Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 289.15 |
| Detector technology | PIXEL |
| Collection date | 2022-11-26 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.251, 46.407, 62.526 |
| Unit cell angles | 90.00, 90.44, 90.00 |
Refinement procedure
| Resolution | 40.690 - 2.160 |
| R-factor | 0.2023 |
| Rwork | 0.200 |
| R-free | 0.25410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.414 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.250 | 2.280 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.139 | 0.473 |
| Number of reflections | 16534 | 16493 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1 M sodium chloride, 0.1 M bis-tris propane pH 9.0, 25% w/v polyethylene glycol 1,500 |
