Improving macromolecular structure refinement with metal-coordination restraints

HIGHLIGHTS

  • What: Examples of application From refinements of numerous structures while testing the updated CCP4 monomer library, the authors present a few example cases to demonstrate the improvement in refinement stability and structure model quality. This approach will ensure that the correct coordination geometry is identified and utilized. The aim of the Procrustes method is to achieve the optimal superimposition of two sets of points, ensuring that the corresponding points are as close as possible, according to the least-squares criterion.
  • Who: Kaveh H. Babai and colleagues from the Institute of Molecular Biology and Biotechnology, Ministry . . .

     

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