Residue-based scattering factors.
A glob is defined as a group of atoms in the crystal which can be chosen in various ways. Globs themselves can be used as scattering elements in the theory of structure determination, just as atoms are used at present. In this paper, amino-acid residues are chosen to form globs and empirical formulas for residue-based scattering factors have been developed.
Mathematics Department, SUNY Buffalo State, 1300 Elmwood Avenue, Buffalo, NY 14222, USA.
Hongliang
H
Xu
D000465:Algorithms; D000596:Amino Acids / Q000737:chemistry; D001426:Bacterial Proteins / Q000737:chemistry; D016831:Crithidia fasciculata / Q000737:chemistry; D030562:Databases, Protein; D004926:Escherichia coli / Q000737:chemistry; D006801:Humans; D016018:Least-Squares Analysis; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D015800:Protozoan Proteins / Q000737:chemistry; D019779:Salmonella enterica / Q000737:chemistry; D013824:Thermus / Q000737:chemistry; D014961:X-Ray Diffraction
D000596:Amino Acids; D001426:Bacterial Proteins; D011506:Proteins; D015800:Protozoan Proteins
X-ray diffraction; ab initio structure determination; amino-acid residues; macromolecular crystallography; residue-based scattering factors