9FWS
Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00258
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 | 2022-07-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.042, 100.035, 51.384 |
| Unit cell angles | 90.00, 114.83, 90.00 |
Refinement procedure
| Resolution | 20.260 - 1.433 |
| R-factor | 0.1928 |
| Rwork | 0.192 |
| R-free | 0.21300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.100 |
| 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] | 46.632 | 46.632 | 1.458 |
| High resolution limit [Å] | 1.433 | 3.890 | 1.433 |
| Rmerge | 0.049 | 0.041 | 0.597 |
| Rmeas | 0.053 | 0.044 | 0.665 |
| Rpim | 0.020 | 0.017 | 0.286 |
| Total number of observations | 497270 | 24824 | 18102 |
| Number of reflections | 73397 | 3686 | 3481 |
| <I/σ(I)> | 18.46 | 47.94 | 2.21 |
| Completeness [%] | 99.4 | 98 | 95.1 |
| Redundancy | 6.78 | 6.73 | 5.2 |
| CC(1/2) | 0.998 | 0.997 | 0.776 |
| Anomalous redundancy | 3.5 | 3.5 | 2.7 |
| CC(ano) | -0.048 | -0.037 | -0.009 |
| |DANO|/σ(DANO) | 0.8 | 1.2 | 0.6 |
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: 0.11M |
