In this exercise, students are introduced to Mercury, a program for visualizing and analyzing crystal structure data.  Students are guided through opening the program for the first time and viewing a structure from the Teaching Subset, a selection of structures from the Cambridge Crystallographic Database (CSD). Activites include changing the representation of the complex, moving the structure around the window, accessing information about the structure, and measuring bond lengths and angles within the structure.

In this activity, students will compare and contrast two closely related structures, [Pd(dcpf)PR₃]²⁺ (dcpf = 1,1'-bis(dicyclohexylphosphino)ferrocene; R = Me or Ph). They will be required to obtain the cif files from the supporting information of a paper. They will then make a variety of measurments in the two stuctures. These measurements can be made using a variety of different freely available programs. Instructions are provided for Mercury 3.3 and Olex2. Finally, students will be required to provide a rationale for the differences in the two structures.

This is an in-class PDB exercise based on the paper "Mechanisms Controlling the Cellular Metal Economy" by Gilston and O'Halloran. Students are asked to visualize the metal binding sites of several proteins discussed in the paper, highlighting unusual metal geometries. After identifying the amino acid residues involved in metal binding, students will discuss the bond structure in terms of HSAB theory.