9FWP
Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00198
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.265, 70.817, 109.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.450 - 2.381 |
R-factor | 0.2133 |
Rwork | 0.211 |
R-free | 0.24600 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 0.900 |
Data reduction software | XDS (Jan 10, 2022) |
Data scaling software | Aimless (0.7.7) |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.446 | 59.446 | 2.422 |
High resolution limit [Å] | 2.381 | 6.461 | 2.381 |
Rmerge | 0.139 | 0.044 | 1.390 |
Rmeas | 0.144 | 0.046 | 1.444 |
Rpim | 0.039 | 0.014 | 0.386 |
Total number of observations | 267045 | 13351 | 13601 |
Number of reflections | 19992 | 1102 | 992 |
<I/σ(I)> | 16.99 | 45.67 | 2.42 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 13.36 | 12.12 | 13.71 |
CC(1/2) | 0.997 | 0.997 | 0.783 |
Anomalous redundancy | 7.2 | 7.2 | 7.2 |
CC(ano) | 0.096 | 0.423 | -0.039 |
|DANO|/σ(DANO) | 0.9 | 1.4 | 0.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Morpheus buffer 2 (pH: 7.5): 0.10M - Morpheus Ethylene glycols: 21.50%w/v Morpheus Amino acids: 0.06M |