The MIF/MIF180 systems were set up approximately following the methodology of Qian et al. The structures of MIF and MIF180 were obtained from the crystal structures of complexes of MIF with both MIF180 (relatively poor resolution -2.6 Å, PDB ID 4WR8) and the structurally similar MIF190 (relatively high resolution -1.8 Å, PDB ID 4WRB). Five extra copies of the biological assembly were removed from 4WR8 by deleting all chains from D onwards. The higher resolution structure was superimposed on the lower resolution structure by aligning chain B from 4WR8 with chain A from 4WRB using PyMOL. Crystallographic waters (from 4WRB) were retained and all other non-protein and non-ligand atoms were discarded. For atoms with alternative locations, the location with the greatest occupancy was selected. Thirteen missing atoms were added using pdb4amber. H++ (version 3.2)