Software for Analysis of X-Ray Scattering Data of Supramolecular Self-Assembled Biomolecules
Software package for determining high resolution structure of biomolecules from X-Ray scattering data, Computational Biology Project ID : 9-2011-2610
Summary of the technology
Software package for determining high resolution structure of biomolecules from X-Ray scattering data, Computational Biology
Project ID : 9-2011-2610
Description of the technology
Fills the gap between crystallography and optical imaging
Information about macromolecules is encoded in their shape and the way they are assembled.
Fig.1: Illustration of spherical shells with Gaussian electron density
Fig. 2. Illustration of coaxial helical models. The figure on the left describes coaxial shifted thick uniformhelices. On the right, the helices are composed of discrete uniform spheres.X+ program was developed to model multilayer single geometry-based structures that may also be in Space-Filling lattices. The geometries include rectangular cuboids, a stack of layered structures, multiple spherical shells, concentric hollow cylindrical or distorted cylindrical structures, or a series of coaxial shifted helical structures. Each layer or subunit has an electron density profile that can be uniform, Gaussian, or a sum of hyperbolic tangents. Its features include phase fitting algorithms to obtain lattice parameters and peak indices, model resolution function, and sample polydispersity.D+ program was designed to accurately compute the solution X-ray scattering curves from supramolecular structures by docking repeating subunits into their assembly symmetry.
Fig.3: Analysis at increased resolution of microtubule
Applications for use:
System may be used for analyzing all types of large molecular structures in solution, such as: