X-ray crystallography based characterisation of samples currently have became the favoured method for both definitive sample identification and drug discovery process. A three dimensional structure could be obtained by the technique which provides information in molecular identity, conformation, and packing. Structure-based drug design has proven to be effective in all aspects of drug discovery and development. It provides the chance to see the specific interactions of your compounds with the target you are working with. Based on the information viewed and analyzed, chemists may move forward with more confidence in optimizing their leads.