Macromolecular Crystallography and Structural Biology Databases at NIST

Area of Science:

• Structural Biology
• Macromolecular Crystallography
• Biophysics

Background:

• NIST initiated macromolecular crystallography in the late 1970s through collaboration with NIH.
• Established capabilities in neutron and X-ray diffraction for crystal structure determination.
• Biomolecular Structure Group formed in the mid-1980s, later joining the Center for Advanced Research in Biotechnology (CARB).

Purpose of the Study:

• To detail the historical development and evolution of macromolecular crystallography and structural biology at NIST.
• To highlight key research areas and collaborations over several decades.
• To showcase NIST's contributions to structural biology databases and data management.

Main Methods:

• Single-crystal neutron diffractometry.
• Single-crystal X-ray diffraction.
• Database development and management (Biological Macro-molecule Crystallization Database, Protein Data Bank).

Main Results:

• Solved crystal structures of various proteins including bovine ribonuclease A, porcine insulin, chymosin, and subtilisin BPN'.
• Advanced protein engineering studies and research on enzymes in amino acid biosynthesis pathways.
• Played a crucial role in establishing and managing structural biology databases, including the Protein Data Bank.

Conclusions:

• NIST has a long-standing and significant history in macromolecular crystallography and structural biology.
• Collaborative efforts have been key to advancing structural determination and data accessibility.
• NIST continues to contribute to structural biology through research, data curation, and database stewardship.