Research11

Iterating diffuse scattering protocols in parallel leads to reproducible, high-quality data from Mac1

Opens on thestacks.org/publications/diffuse-scattering-east-west

Two teams measured three-dimensional diffuse scattering maps from SARS-CoV-2 Nsp3 macrodomain (Mac1) crystals to hone protocols and assess reproducibility.

Don't just do something, sit there: Mindful of the MD Model

Proteins can "shift in their seats" depending on where they sit in the lattice.

Varying crystallization conditions to study lattice effects on diffuse scattering

My summer research project in the Ando Lab

Revealing hidden signals in raw X-ray crystallography data with mdx2

Mdx2 is a powerful and open-source toolkit for diffuse data processing.

Is it all just the lattice?

Taylor's update on his work in the diffUSE project and the roadmap to a complete forward model of diffuse scattering.

goodvibes

Opens on github.com/prism-science/goodvibes

Lattice vibration model for diffuse scattering

mdx2-workflows

Opens on github.com/prism-science/mdx2-workflows

Workflows for diffuse scattering data reduction with mdx2.

Shake It Up!

MD simulations of changes in diffuse scattering depending on ligand binding

3-2-1 Contact: Comparing MD simulations with diffuse data

Insights from the first comparisons of MD simulations to diffuse data

Let's dance!

Molecular-dynamics simulations of diffuse scattering

DiffUSE Logbook

Opens on diffuse.science/logbook/

An experiment in open science to catalog X-ray datasets, collect notes from synchrotron data collection, share reports from data processing, and post preliminary analysis without filters.