Salunke, Dinakar M. and Nair, Deepak T. (2017) Macromolecular structures: Quality assessment and biological interpretation. IUBMB Life, 69 (8). pp. 563-571. ISSN 15216543

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Abstract

Structure determination using X-ray crystallography involvescollection of diffraction data, determination of initial phasesfollowed by iterative rounds of model building and crystallo-graphic refinement to improve the phases and minimize thedifferences between calculated and observed structure factors.At each of these stages, a variety of statistical filters exist toensure appropriate validation. Biologically important observa-tions often come from interpretations of signals that need tobe carefully deciphered from noise, and therefore humanintervention is as important as the automated methods and fil-ters. Currently, all structural data are deposited in the ProteinData Bank (PDB), and this repository is continuously evolvingto incorporate new developments in macromolecular crystal-lography. The journals that publish data arising from structuralstudies modulate their policies to take cognizance of newimproved methodologies. Together, the PDB and journalshave evolved an accepted protocol to ensure the integrity ofcrystallographic results. As a result, the quality of availabledata and associated interpretations have improved over theyears. Typically, if there are differences regarding the mecha-nism of action of a protein revealed by crystallography thennew experiments are carried out to provide further evidencefor or against a particular hypothesis. Hence, the scientific sys-tems in structural biology are robust and to a large extentcapable of correcting any errors in interpretation of structuralresults. However, this process is hindered by spurious chal-lenges to published research, based on misuse of validationmechanisms. Such activities are counterproductive and willcause damage to the field of structural biology.VC2017 IUBMBLife, 69(8):563–571, 2017

Item Type:	Article
Subjects:	Biochemical and Biophysical Sciences
Depositing User:	RCB Library
Date Deposited:	17 Jul 2020 11:46
Last Modified:	17 Jul 2020 11:46
URI:	http://rcb.sciencecentral.in/id/eprint/367

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