PanDDA analysis of SARS-CoV-2 nsp10-ExoN (space group P21)

A crystallographic fragment screen against the nsp10-nsp14 ExoN heterodimeric complex was performed at the FragMAX facility (MAX IV Laboratory). Crystals were soaked with compounds from the FragMAXlib library and about half of the crystals screened belonged to space group P21. This repository contains a tar archive file of all files generated during the corresponding Pan-Dataset Density Analysis (PanDDA, 10.1038/ncomms15123) analysis of the respective datasets. The following PDB accession codes are associated with datasets collected during this campaign: • 9FWI (NSP1014-x0055)• 9FWK (NSP1014-x0083)• 9FWL (NSP1014-x0098)• 9FWM (NSP1014-x0103)• 9FWS (NSP1014-x0158)• 9FWT (NSP1014-x0159)• 9FWU (NSP1014-x0186)Two datasets that had only weakly bound fragment, i.e. fragments that could only be identified in PanDDA event maps, bit not in not be identified in 2fofc electron density and fofc difference electron density maps. These datasets were additionally analysed with the Xtrapol8 algorithm (10.1038/s42003-022-03575-7) and the full analysis was also uploaded to zenodo:• NSP1014-x0055: 10.5281/zenodo.11182330• NSP1014-x0083: 10.5281/zenodo.11182339• NSP1014-x0159: 10.5281/zenodo.11182341