The effects of thermal disorder on the solution-scattering profiles of macromolecules.
The solution-scattering profiles of macromolecules are significantly affected by the thermal motions of their atoms, especially at wide scattering angles, even when only a single conformational state is significantly populated in solution. Here it is shown that the impact thermal motions have on the molecular component of the solution-scattering profile of a single-state macromolecule can be predicted accurately if the variances and covariances of the thermal excursions of its atoms from their average positions are known.
Department of Chemistry, Yale University, New Haven, Connecticut. Electronic address: peter.moore@yale.edu.
Peter B
PB
Moore
D018360:Crystallography, X-Ray; D046911:Macromolecular Substances / Q000737:chemistry*; D008956:Models, Chemical; D008968:Molecular Conformation; D009038:Motion; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D053838:Scattering, Small Angle; D012996:Solutions / Q000737:chemistry*; D013816:Thermodynamics; D014764:Viral Proteins / Q000737:chemistry; D014961:X-Ray Diffraction
D046911:Macromolecular Substances; D011506:Proteins; D012996:Solutions; D014764:Viral Proteins