Scattering of X-ray radiation in solution (SAXS) has a potential to become an important component in structural studies of bio-macromolecules. The main reason for its attractiveness lies in the possibility of using these data to quickly distinguish between diverse candidate structural models representing the conformation of macromolecule in solution. In this project we aim to increase the information content of the solution scattering data using approaches, such as selective labeling and contrast variation. Our second goal is to improve the accuracy with which solution scattering data of proteins and oligonucleotides can be predicted from the atomic coordinates by developing detailed models that describe the structure of the solvation layer surrounding the macromolecule based the SAXS, anomalous X-ray scattering, and neutron contrast variation measurements.

 

References

Grishaev A, Anthis N, Clore GM: Contrast-matched small angle X-ray scattering from a heavy atom-labeled protein in structure determination: application to a lead-substituted calmodulin-peptide complex. Journal of the American Chemical Society 134: 14686-14689, 2012

Grishaev A, Guo L, Irving T, Bax A: Improved fitting of solution X-ray scattering data to macromolecular structures and structural ensembles by explicit water modeling. Journal of the American Chemical Society 132: 15484-15486, 2010

 

key words

Protein and RNA structure; Macromolecular solvation; X-ray and neutron scattering; Structural biology;

Citizenship:  Open to U.S. citizens

Level:  Open to Postdoctoral applicants