A snapshot love story: what serial crystallography has done and will do for us

This article gives an overview of current trends and challenges in serial crystallography, with a focus on results from time-resolved experiments.

Managing macromolecular crystallographic data with a laboratory information management system

It is discussed how the metadata for the workflow from protein crystallization to the deposition of crystal structures can best be captured by using a dedicated but flexible laboratory information management system that can be either a standalone installation or a hosted service to mitigate the IT risks.

Likelihood-based interactive local docking into cryo-EM maps in ChimeraX

Likelihood-based cryo-EM docking using the emplace_local software is faster and more sensitive than the related em_placement software when the approximate location of a component is known. It is conveniently available through a plugin to the ChimeraX visualization software.

The crystal structure of Shethna protein II (FeSII) from Azotobacter vinelandii suggests a domain swap

The Azotobacter vinelandii FeSII protein forms an oxygen-resistant complex with the nitrogenase MoFe and Fe proteins.

Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them

Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme have resulted in 121 binding events of 16 out of 226 investigated fragments, suggesting functional sites with respect to substrate binding and substrate channeling.

Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals

A pragmatic method, Cryo2RT, to obtain high-throughput room-temperature structures from cryo-cooled crystals has been demonstrated and applied to ligand-binding studies.

Crystal structure of glycerol kinase from Trypanosoma cruzi, a potential molecular target in Chagas disease

The first structure of a glycerol kinase from the parasite T. cruzi with a bound glycerol molecule is presented.

Protonation of histidine rings using quantum-mechanical methods

Histidine protonation is fraught, but a new quantum-mechanical method can provide insight into choices.