An automated data processing and analysis pipeline for transmembrane proteins in detergent solutions

D. Molodenskiy; H. Mertens; D. Svergun

The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/714303 doi: bioRxiv preprint Figure. 1. Workflow of the pipeline extension for MPs. The pipeline utilizes a priori data from the ISPyB database, calculates overall SAXS parameters and decides, which software to employ for the subsequent analysis. Figure. 2. An elution profile of T2 membrane protein, built by CHROMIXS from 1600 consequent SEC-SAXS data sets (average intensity versus frame number). The frames corresponding to the buffer and sample are automatically identified (marked by red and green, respectively), averaged and subtracted one from the other. The resulting curve is displayed in PRIMUS interface (inset). Initial estimates of the length of the detergent tail and head components are done using the Tanford formula for the detergent tail length: l c = 1.5 + 1.265n c , where n c is the total number of carbon atoms. The starting parameters for the evaluation of the corona geometry using MEMPROT (28) are determined as follows: