Algorithms for Crystal Structure Determination in Macromolecular Crystallography
X ray crystallography has been the leading technique for structure determination since the discovery of the diffraction of X rays by crystals by Max von Laue. In this thesis the crystal structure of human ceroid lipofuscinosis neuronal protein 5 (cln5) is described for the first time. The structure solution is the basis to further the understanding of neuronal ceroid lipofuscinosis 5 (NCL 5) disease, since now structural homologues can be described, and it becomes possible to deduce a function for the protein cln5. The program PDB2INS was developed as a bridge for the refinement of macromolecular crystallography data with the program SHELXL. As part of this thesis the development of the program, its functions, and capabilities are described. In 1961, A. Rich, D. Davies, F. Crick and J. Watson proposed a parallel double helix ribonucleic acid (RNA) structure for poly(rA) Here high resolution data of poly(rA) is presented and analyzed in the context of multi crystal averaging. The analysis is part of the effort to implement this function into SHELXC by G. M. Sheldrick.