Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods
to determine three-dimensional macromolecular structures, which are required to …

The AlphaFold2 results in the 14th edition of Critical Assessment of Structure Prediction
(CASP14) showed that accurate (low root-mean-square deviation) in silico models of protein …

phenix. refine is a program within the PHENIX package that supports crystallographic
structure refinement against experimental data with a wide range of upper resolution limits …

This paper describes the current update on macromolecular model validation services that
are provided at the MolProbity website, emphasizing changes and additions since the …

Macromolecular X-ray crystallography is routinely applied to understand biological
processes at a molecular level. However, significant time and effort are still required to solve …

Estimates of the quality of experimental maps are important in many stages of structure
determination of macromolecules. Map quality is defined here as the correlation between a …

An algorithm for automatic map sharpening is presented that is based on optimization of the
detail and connectivity of the sharpened map. The detail in the map is reflected in the …

In protein microcrystallography, radiation damage often hampers complete and high-
resolution data collection from a single crystal, even under cryogenic conditions. One …

This report presents the conclusions of the X-ray Validation Task Force of the worldwide
Protein Data Bank (PDB). The PDB has expanded massively since current criteria for …

Across different kingdoms of life, ATP citrate lyase (ACLY, also known as ACL) catalyses the
ATP-dependent and coenzyme A (CoA)-dependent conversion of citrate, a metabolic …