Computational design of conformation-biasing mutations to alter protein functions - Associated LplA data

Files for Cavanagh and Xue et al. “Computational design of conformation-biasing mutations to alter protein functions” doi: https://doi.org/10.1101/2025.05.03.652001 LplA raw SEC-SAXS data. SAXS scattering curves, UV, and plotting data for all LplA variants tested. Data are organized by date of data collection, with subfolders for each sample, containing the .dat averaged SAXS scattering data for the 5-image windows selected for analysis. Data Tables 11 and 12 contain information to match sample numbers to experimental conditions. A subfolder titled “Plot_Data_Shifted” contains all UV and Plot data in .txt files for generating the elution profiles. LplA SEC-SAXS elution profiles and Oligomer fits. PDFs for each LplA variant tested, showing elution profile and associated SAXS scattering curves with Oligomer-predicted model fits. Data are plotted in both Log(I) vs q and Kratky plot format to better emphasize relevant differences, as well as the residual (data – model) for each fit. LplA structures used for SEC-SAXS Oligomer analysis. PDB files for all LplA structural models used for Oligomer analysis of the SAXS data. Associated code for this data can be found at: https://doi.org/10.5281/zenodo.17665185