Development of MrPDB, a full automatic software system of molecular replacement for protein

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Crystal structure of a protein can be determined by X-ray crystallography. Solved crystal structures of proteins have been deposited in the Protein Data Bank. If a crystal structure of a homologous protein with sequence identity greater than 30 % is already in the Protein Data Bank, then the crystal structure of the protein can be determined by the molecular replacement method, in which only native structure factor data of crystals are needed and hence the process of structure determination is straightforward.We have developed Mr-PDB, a WEB-based automatic software system of molecular replacement for protein structure determination. The user input crystal data, amino-acid sequence in the WEB page of MrPDB and upload the file of crystal structure factors to the WEB server of MrPDB. Then MrMDP determines the crystalstructure of the protein automatically.