Announcing the launch of Protein Data Bank China as an Associate Member of the Worldwide Protein Data Bank Partnership

The formal launch of Protein Data Bank China (PDBc) is announced, and the history of the wwPDB, recently established mechanisms for adding new wwPDB data centers and the processes developed to bring PDBc into the partnership are described.

Correcting systematic errors in diffraction data with modern scaling algorithms

Emerging algorithms based on machine learning offer promise in processing new diffraction experiments.

Predicted models and CCP4

The use of predicted models for macromolecular structure determination in CCP4 is discussed.

A Python package based on robust statistical analysis for serial crystallography data processing

This article introduces RGFlib, a Python package for robust statistical analysis. The package is a useful tool for a variety of tasks in X-ray crystallography data analysis, such as peak-finding, bad pixel mask making and other outlier-detection tasks.

Structural basis of the amidase ClbL central to the biosynthesis of the genotoxin colibactin

Insight into biosynthetic pathways in the human microbiome can provide details of host–microbe interactions and beneficial symbiosis. In this report, the structure and function of a key bond-forming enzyme in the biosynthesis of the human genotoxin colibactin is presented.

LifeSoaks: a tool for analyzing solvent channels in protein crystals and obstacles for soaking experiments

A novel tool is presented for the calculation of solvent channels and their bottlenecks, with a special emphasis on small-molecule soaking. Bottleneck radii for all crystal structures in the PDB as well as a hand-curated data set of successfully soaked structures are presented.

Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening

Crystallographic fragment screening of a mycobacterial thioredoxin reductase revealed 56 starting points for the development of new antituberculotic drugs, with 42 fragments bound to 11 different binding sites.

Raimond B. G. Ravelli (25 March 1968–30 June 2023)

Raimond B. G. Ravelli is remembered.