Computational protocol: Characterization and Structure of the Aquifex aeolicus Protein DUF752

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Protocol publication

[…] The structure of the A. aeolicus DUF752 protein was determined by using the SeMet MAD data set, SOLVE and RESOLVE (). We used the second data set (peak 2), obtained from another crystal in the same crystallization drop, to improve the electron density map. The model (2.5 â„«) was built and refined with NCS restraints by using the programs Coot () and Refmac5 implemented in the CCP4 suite (). Data collection and refinement statistics are summarized in . The quality of the protein model was inspected by PROCHECK (). Structure representations were prepared with the PyMOL program (Schrödinger, LLC.). Coordinates and structure factors have been deposited in the Protein Data Bank, with the accession code 3VYW. […]

Pipeline specifications

Software tools Coot, REFMAC5, CCP4, PROCHECK, PyMOL
Application Protein structure analysis
Organisms Aquifex aeolicus, Escherichia coli
Chemicals S-Adenosylmethionine, Uridine