9GRP
SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and beta-chloroethyl theophylline
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 | 2021-08-28 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.033220 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 167.740, 167.740, 51.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.420 - 2.100 |
R-factor | 0.184 |
Rwork | 0.184 |
R-free | 0.20380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.894 |
Data reduction software | XDS (BUILT=20210205) |
Data scaling software | XDS (BUILT=20210205) |
Phasing software | PHENIX (1.20.1-4487) |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.420 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.391 | 3.807 |
Rmeas | 0.410 | 3.986 |
Rpim | 0.122 | 1.172 |
Number of reflections | 48769 | 4847 |
<I/σ(I)> | 6.77 | |
Completeness [%] | 99.9 | 99.94 |
Redundancy | 11.5 | 11.6 |
CC(1/2) | 0.992 | 0.217 |
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 |