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SAXS Solution Scattering & Hybrid Modeling Training | Data QC, Shape Reconstruction, Integrative Models

NTHRYS >> Services >> Academic Services >> Training Programs >> Bioinformatics Training >> Structural Biology, Biophysics & Computational Modeling >> SAXS Solution Scattering & Hybrid Modeling Training | Data QC, Shape Reconstruction, Integrative Models

SAXS Solution Scattering & Hybrid Modeling — Hands-on

Learn how small angle X ray scattering (SAXS) reports on biomolecular size, shape and flexibility in solution. This module walks through experiment design, data reduction, quality assessment, low resolution modeling and hybrid use of SAXS with crystallography, cryo EM and NMR to build integrative structural models.

SAXS Solution Scattering & Hybrid Modeling
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Session 1
Fee: Rs 8800
SAXS Fundamentals & Experiment Design
  • Principles of solution scattering and SAXS observables
  • q space and I (q) contrast and scattering length density size, shape and flexibility information
  • Sample preparation and experiment planning
  • monodispersity and aggregation checks concentration series buffer matching and background
  • SAXS beamline and lab instrument overview
  • flow cell vs batch radiation damage considerations time resolved and SEC SAXS concepts
Session 2
Fee: Rs 11800
Data Reduction, QC & Guinier / Kratky Analysis
  • From 2D images to 1D scattering curves
  • radial averaging buffer subtraction merging frames and curves
  • Guinier, distance distribution and Kratky plots
  • Rg and I (0) estimation P (r) and Dmax folded vs disordered signatures
  • Quality control and data selection
  • monodispersity checks frame rejection and outliers reproducibility across concentrations
Session 3
Fee: Rs 14800
Shape Reconstruction & Rigid Body Modeling
  • Ab initio shape reconstruction from SAXS curves
  • dummy atom and bead models symmetry and anisometry clustering and averaging solutions
  • Rigid body and ensemble modeling strategies
  • fitting high resolution domains flexible linkers and ensembles comparison of candidate models
  • Goodness of fit and model discrimination
  • chi squared and residuals q range selection overfitting considerations
Session 4
Fee: Rs 18800
Hybrid / Integrative Modeling & Reporting
  • Combining SAXS with high resolution structures
  • Theory + Practical
  • Integrative use with crystallography, cryo EM and NMR
  • consistency checks across methods restraint based hybrid models model uncertainty communication
  • Deposition, FAIR data and figure ready reporting
  • SASBDB deposition concepts checklists and validation summaries panels and methods text for manuscripts


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