Determining the Rabex in the APO state with integrative modeling platform (IMP)

We predicted the 3D structure of full length Rabex in its apo state by using cross-linking/MS-derived distance restrained docking calculations through the Integrative Modeling Platform (IMP) (Russel et al., 2012) package, release 2.9.0. We employed the Python Modeling Interface (PMI), adapting the scripted pipeline of a previously described procedure (Chen et al., 2016) and consisting in the following key steps: (1) gathering of data, (2) representation of domains and/or subunits and translation of the data into spatial restraints, (3) configurational sampling to produce an ensemble of models that optimally satisfies the restraints, and (4) analysis and assessment of the ensemble.