8OV4
SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin
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 | 2023-02-22 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.033200 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 168.050, 168.050, 51.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.730 - 1.930 |
R-factor | 0.1793 |
Rwork | 0.179 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.218 |
Data reduction software | XDS (1.20.1_4487) |
Data scaling software | XDS (1.20.1_4487) |
Phasing software | PHENIX (1.07) |
Refinement software | PHENIX (1.07) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.730 | 1.999 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.137 | 1.973 |
Rmeas | 0.146 | 2.104 |
Rpim | 0.051 | 0.724 |
Number of reflections | 62937 | 6239 |
<I/σ(I)> | 9.1 | 0.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.1 | 8.3 |
CC(1/2) | 0.997 | 0.398 |
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 |