8OSX
SARS-CoV-2 nsp10-16 methyltransferase in complex with ATP
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 | 2021-12-17 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.033210 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 168.020, 168.020, 51.700 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.140 - 1.830 |
R-factor | 0.1977 |
Rwork | 0.197 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.002 |
Data reduction software | XDS (1.20.1_4487) |
Data scaling software | XDS (1.20.1_4487) |
Refinement software | PHENIX (1.07) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.140 | 1.895 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.195 | 3.118 |
Rmeas | 0.208 | 3.324 |
Number of reflections | 73616 | 7157 |
<I/σ(I)> | 6.85 | 0.27 |
Completeness [%] | 99.5 | 97.77 |
Redundancy | 8.2 | 8.4 |
CC(1/2) | 0.996 | 0.180 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 900 mM sodium fluoride, 100 mM 2-(N-morpholino)ethanesulfonic acid |