Structure of MltG from Mycobacterium abscessus reveals structural plasticity between composed domains

We provide the structure of MltG of the lytic transglycosyl­ase family in this study. We show that MltG has a flexible peptidoglycan-binding domain and exists as a monomer in solution. Further, the putative active site of Mycobacterium abscessus MltG has been revealed using structural analysis and sequence comparison. This research significantly advances our comprehension of the transglycosyl­ation process mediated by the MltG family, providing valuable insights that can inform the development of next-generation antibiotics to specifically target M. abscessus.

Tuning structural modulation and magnetic properties in metal–organic coordination polymers [CH₃NH₃]Co_xNi_1−x(HCOO)₃

We show that the modulated phase transitions in solid solutions of [CH₃NH₃]Co_xNi_1−x(HCOO)₃, with x = 0.25 (1), x = 0.50 (2) and x = 0.75 (3), can be tuned by the metal ratio, which offers the opportunity to consciously build molecular compounds with adjustable properties by doping metal sites.

Quantum refinement in real and reciprocal space using the Phenix and ORCA software

We present a new implementation of quantum refinement interfacing the widely used Phenix and ORCA software. We show applications on a neutron structure of Mn superoxide dismutase, X-ray structures of V- and Fe-nitrogenase and a cryo-EM structure of particulate methane monooxygenase.

Using deep-learning predictions reveals a large number of register errors in PDB depositions

A novel structure-validation method is applied to PDB depositions at 3–5 Å resolution, revealing large numbers of putative register errors.