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Raw diffraction data are our ground truth from which all subsequent workflows develop
- Pages: 683-689
- First Published: 18 May 2022

Defining best practice in science is challenging. International consensus is facilitated by the International Science Council via its members such as the International Union of Crystallography. The IUCr Journals editorial boards are a practical forum for setting the criteria to decide if a study's files are truly the `version of record'. Within that, reality involves a variance of reasonable workflows. Workflows must be detailed carefully by authors in explaining what they have done.
Elucidation of protein function using computational docking and hotspot analysis by ClusPro and FTMap
- Pages: 690-697
- First Published: 01 June 2022
Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre
- Pages: 698-708
- First Published: June 2022
Racemic crystal structures of A-DNA duplexes
- Pages: 709-715
- First Published: 09 May 2022
Single-support serial isomorphous replacement phasing
- Pages: 716-724
- First Published: 09 May 2022
Structural basis of human LRG1 recognition by Magacizumab, a humanized monoclonal antibody with therapeutic potential
- Pages: 725-734
- First Published: 09 May 2022
The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms
- Pages: 735-751
- First Published: 09 May 2022

The catalytic and substrate-regulatory mechanisms of a novel bacterial prolyl oligopeptidase from M. arenaceous (MaPOP) are reported. The suggested substrate-assisted catalytic mechanism of MaPOP may be helpful in understanding the catalytic behavior of prolyl oligopeptidases under physiological conditions.
xia2.multiplex: a multi-crystal data-analysis pipeline
- Pages: 752-769
- First Published: 18 May 2022
Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography
- Pages: 770-778
- First Published: 18 May 2022
Structural visualization of transient interactions between the cis-acting acyltransferase and acyl carrier protein of the salinomycin modular polyketide synthase
- Pages: 779-791
- First Published: 01 June 2022
Pentameric assembly of the Kv2.1 tetramerization domain
- Pages: 792-802
- First Published: June 2022

The selective assembly of Kv subunits into one of four subfamilies of tetrameric, voltage-gated potassium channels is mediated by the T1 tetramerization domain. Here, it was found that unlike the other Kv T1 domains that have been studied to date, the human Kv2.1 T1 domain forms a pentamer, and that zinc binding and electrostatics contribute to the stability of the proteins.