A Rapid Analysis System of Protein Crystal Structures

点击翻译按钮获取中文摘要

1. After a personal IRIS graphics workstation was introduced into our laboratory, we checked its graphic and arithmetic performances at first. In result, we found that it has enough performance to realize the object of this project. Then we adapted the TOM program, a graphics fitting program for macromolecules originally coded by Cambillau (1987), to the Personal IRIS workstation. 2. Using a mainframe computer, we optimized thoroughly the stereochemically restrained least-squares refinement program PROLSQ (Hendrickson and Konnert, 1980) modified by us so that the execution time might become as short as possible. After the optimization we adapted the PROLSQ program to the Personal IRIS workstation, and improved the interface between the PROLSQ and TOM programs so that crystallographers might refine protein structures easily and quickly. 3. In order to see if this refinement system works well, we refined the crystal structure of the complex between microbial ribonuclease Ms and its inhibitor, 3'-guanylic acid, using the system. Its coarse atomic coordinates had been obtained by molecular replacement methods. The refinement system worked quite efficiently. It is the proof of the efficiency of the refinement system that for the past only one year we have finished refining seven kinds of protein structures, (1) RNase Ms*3'-GMP complex (2) Subtilisin-SSI complex (3) RNase Ms*2'-GMP complex (4) RNase Ms*GfpC complex (5) Trypsin-SSI complex (6) Interferon-beta and (7) RNase Rh, using this refinement system.