Welcome to supplementary fragment-screening data for the following paper: New routes for allosteric inhibition of the dynamic enzyme PTP1B revealed by multitemperature crystallography, fragment screening, and covalent tethering Daniel A. Keedy*, Zachary B. Hill*, Justin T. Biel, Emily Kang, T. Justin Rettenmaier, Jose Brandao-Neto, Nicholas M. Pearce, Frank von Delft, James A. Wells, James S. Fraser Find the paper as a preprint on bioRxiv now, and in a peeer-reviewed journal in the near future... For all soaks, including those that did not yield an X-ray dataset we include: * a ligand restraint file (or 2 or up to 16 for some uncertain cases -- see paper) (or nothing for DMSO soaks) See the file: ligand_cif_to_dataset_mapping.txt For soaks that yielded an X-ray dataset, we also include: * a model of the unbound state in PDB format * structure factors in MTZ format * an average map for the corresponding resolution bin in CCP4 format * a PanDDA Z-map in CCP4 format For datasets for which PanDDA automatically identified an "event", we include: * one or more PanDDA event map(s) in CCP4 format For datasets for which we manually modeled a bound fragment, we also supply: * the ground state model in PDB format * the bound state model in PDB format * a geometry restraints file for Refmac refinement Note: We use the PTP1B-XChem-#### syntax in the paper, but this maps exactly with the PTP1B-y#### syntax used here.