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Atomic displacement parameters (ADPs, also known as B-factors), which depend on structural heterogeneity, provide a wide spectrum of information on protein structure and dynamics and find several applications, from protein conformational disorder prediction to protein thermostabilization, and from protein folding kinetics prediction to protein binding sites prediction. A crucial aspect is the standardization...
Background Protein crystal structures are potentially over-interpreted since they are routinely refined without any restraint on the upper limit of atomic B-factors. Consequently, some of their atoms, undetected in the electron density maps, are allowed to reach extremely large B-factors, even above 100 square Angstroms, and their final positions are purely speculative and not based on any experimental...
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