9FWU
Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00421
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 | 2022-06-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.811, 100.392, 51.261 |
| Unit cell angles | 90.00, 114.53, 90.00 |
Refinement procedure
| Resolution | 20.290 - 1.425 |
| R-factor | 0.1849 |
| Rwork | 0.184 |
| R-free | 0.20140 |
| 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] | 50.196 | 50.196 | 1.450 |
| High resolution limit [Å] | 1.425 | 3.868 | 1.425 |
| Rmerge | 0.050 | 0.035 | 0.795 |
| Rmeas | 0.054 | 0.038 | 0.857 |
| Rpim | 0.020 | 0.014 | 0.320 |
| Total number of observations | 519663 | 26402 | 25599 |
| Number of reflections | 74469 | 3813 | 3670 |
| <I/σ(I)> | 17.51 | 51 | 2.24 |
| Completeness [%] | 99.3 | 99.7 | 98.1 |
| Redundancy | 6.98 | 6.92 | 6.98 |
| CC(1/2) | 0.999 | 0.999 | 0.792 |
| Anomalous redundancy | 3.6 | 3.6 | 3.5 |
| CC(ano) | 0.166 | 0.211 | 0.008 |
| |DANO|/σ(DANO) | 0.8 | 1.2 | 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: 32.00%w/v Morpheus Amino acids: 0.11M |
