Core packing of well-defined X-ray and NMR structures is the same.

ABSTRACT: Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by X-ray crystallography. A fundamental question is whether any observed differences are due to differing methodologies or to differences in the behavior of proteins in solution versus in the crystalline state. Here, we compare the properties of the hydrophobic cores of high-resolution protein crystal structures and those in NMR structures, determined using increasing numbers and types of restraints. Prior studies have reported that many NMR structures have denser cores compared with those of high-resolution X-ray crystal structures. Our current work investigates this result in more detail and finds that these NMR structures tend to vio

SUBMITTER: Grigas AT 

PROVIDER: S-EPMC9277709 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature