Characterization of flexible RNA binding by tandem RNA recognition motifs through integrative ensemble modelling

Primary and processed experimental data, MMMx modelling and analysis scripts, and ensemble models for a study on RNA binding to the tandem RNA-recongnition motifs of Serine/arginine-rich splicing factor 1 (SRSF1). The set comprises the following data and scripts:

• Primary DEER (EPR) data for the free protein and for complexes with RNA UCAUUGGAU as well as UGGAUUUUUCAU
• Processed DEER data (distance distributions)
• RigiFlex ensemble modelling scripts for the free protein and the two complexes to be run with MMMx
• EnsembleFit (MMMx) scripts, including NMR paramagnetic relaxation enhancement (PRE) restraints
• EnsembleAnalysis scripts (MMMx) for analyzing the incomplete disorder-to-order transitions from free SRSF1 to the two RNA complexes
• ensemble models for the free protein and for complexes with RNA UCAUUGGAU as well as UGGAUUUUUCAU obtained with RigiFlex in MMMx
• ensemble models for the free protein and for complexes with RNA UCAUUGGAU as well as UGGAUUUUUCAU obtained by a CYANA multistate computation followed by ensemble reweighting by MMMx 
• ensemble models obtained with different approaches for generating the initial conformer pool and different reweighing procedures
• superensembles obtained by jackknife resampling