title: Towards automatic protein backbone assignment using proton-detected 4D solid-state NMR data.
abstract: We introduce an efficient approach for sequential protein backbone assignment based on two complementary proton-detected 4D solid-state NMR experiments that correlate Hi(N)/Ni with CAi/COi or CAi-1/COi-1. The resulting 4D spectra exhibit excellent sensitivity and resolution and are amenable to (semi-)automatic assignment approaches. This strategy allows to obtain sequential connections with high confidence as problems related to peak overlap and multiple assignment possibilities are avoided. Non-uniform sampling schemes were implemented to allow for the acquisition of 4D spectra within a few days. Rather moderate hardware requirements enable the successful demonstration of the method on deuterated type III secretion needles using a 600 MHz spectrometer at a spinning rate of 25 kHz.
authors.affiliation: Department of NMR-based Structural Biology, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077, Göttingen, Germany.
authors.forename: ShengQi
authors.initials: S
authors.lastname: Xiang
authors.forename: Veniamin
authors.initials: V
authors.lastname: Chevelkov
authors.forename: Stefan
authors.initials: S
authors.lastname: Becker
authors.forename: Adam
authors.initials: A
authors.lastname: Lange
mesh_terms: D001331:Automation; D001426:Bacterial Proteins / Q000737:chemistry*; D066244:Proton Magnetic Resonance Spectroscopy; D012486:Salmonella typhimurium / Q000378:metabolism
chemical_list: D001426:Bacterial Proteins