9GTF
SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and theophylline derivative LAS 57256190
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-28 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.033200 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 169.330, 169.330, 51.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.880 - 2.280 |
| R-factor | 0.1817 |
| Rwork | 0.179 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.214 |
| Data reduction software | XDS (BUILT=20210205) |
| Data scaling software | XDS (BUILT=20210205) |
| Phasing software | PHENIX (1.21-5207) |
| Refinement software | PHENIX (1.21-5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.880 | 2.362 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.206 | 2.094 |
| Rmeas | 0.221 | 2.248 |
| Rpim | 0.078 | 0.807 |
| Number of reflections | 38979 | 3889 |
| <I/σ(I)> | 8.49 | 0.84 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 8 | 7.7 |
| CC(1/2) | 0.995 | 0.326 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 400 mM sodium fluoride, 100 mM 2-(N-morpholino)ethanesulfonic acid |
