New algorithm revolutionizes protein crystal X-ray phasing for faster discoveries.
An algorithm called Borges was developed to phase protein crystal X-ray diffraction data using general structural information from the Protein Data Bank. This method successfully phased various protein structures by combining molecular replacement with density modification. The algorithm utilizes small fragments of structural data to generate hypotheses without prior knowledge of the specific structure, overcoming limitations of direct methods. By searching for polyalanine helices and composite fragments based on tertiary structure, the algorithm can solve the crystallographic phase problem for new protein structures.