Real space in cryo-EM: the future is local

A perspective is provided on the future development of real-space methods in cryo-EM.

Databases for intrinsically disordered proteins

The types, scopes, availability and complementarity of databases for intrinsically disordered proteins are described.

Atomic model validation using the CCP-EM software suite

Utilities for atomic model validation in the CCP-EM software suite are discussed. An assessment of SARS-CoV-2 structures reflects a strong bias in model refinement towards geometric restraints when compared with agreement with the data.

Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization

Urate oxidase structures under high hydrostatic pressure per se and high argon pressure have been analyzed, deciphering the basis of protein–ligand stabilization by pressure and the formation of a transient intermediate dimeric substate during pressure-induced dissociation.

End-to-end orientation estimation from 2D cryo-EM images

An end-to-end supervised learning method to directly recover missing orientations from 2D cryo-EM images is described.

Detecting ice artefacts in processed macromolecular diffraction data with machine learning

A program utilizing artificial learning and convolutional neural networks, named Helcaraxe, has been developed which can detect ice-crystal artefacts in processed macromolecular diffraction data with unprecedented accuracy.

Radiation-induced defects in protein crystals observed by X-ray topography

The direct observation of crystal defects in protein crystals induced solely by X-ray irradiation is reported.

K-edge anomalous SAXS for protein solution structure modeling

In a pilot study, K-edge anomalous SAXS signal was obtained from a small dimeric protein containing polyhistidine tags bound to cupric ions, which can be used for the assessment of protein structural models in solution.

Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6

The first structure of a novel archaeal-like Holliday junction-resolving enzyme originating from a thermophilic phage was determined and its function in cleaving X-shaped dsDNA was demonstrated. Furthermore, a novel signature motif for Holliday junction-resolving enzymes originating from thermophilic bacteriophages is proposed.

Structural snapshot of a glycoside hydrolase family 8 endo-β-1,4-glucanase capturing the state after cleavage of the scissile bond

The structure of an endo-β-1,4-glucanase from the cellulose-producing bacterium Enterobacter sp. CJF-002 bound to cellooligosaccharide was determined.

Determining the oxidation state of elements by X-ray crystallography

Using spatially resolved anomalous dispersion (SpReAD) refinement, the oxidation states of elements in crystal structures can be determined.

Structural insights into the antifungal drug target guanosine monophosphate synthase from Aspergillus fumigatus

The crystal structure of guanosine monophosphate synthase from Aspergillus fumigatus, an attractive antifungal drug target, reveals unique differences from the human homologue that can be effectively targeted.

Notes of a protein crystallographer: the advantages of combining new integrated methods of structure solution with traditional data visuals

The streamlined crystallographic software tools for solving macromolecular crystal structures should be complemented with the visual aids that were used in the past (for example precession images and stereographic projections) to facilitate better understanding of the basic crystallographic concepts by younger aspiring crystallographers.