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@ARTICLE{Das:133925,
      author       = {Das, Debanu and Deacon, Ashley M. and Grant, Joanna and
                      Terwilliger, Thomas C. and Read, Randy J. and Adams, Paul D.
                      and Levitt, Michael and Schröder, Gunnar and Brunger, Axel
                      T.},
      title        = {{A}pplication of {DEN} refinement and automated model
                      building to a difficult case of molecular-replacement
                      phasing: the structure of a putative
                      succinyl-diaminopimelate desuccinylase from
                      {C}orynebacterium glutamicum},
      journal      = {Acta crystallographica / D},
      volume       = {68},
      number       = {4},
      address      = {Copenhagen},
      publisher    = {Munksgaard},
      reportid     = {FZJ-2013-02311},
      pages        = {391 - 403},
      year         = {2012},
      abstract     = {Phasing by molecular replacement remains difficult for
                      targets that are far from the search model or in situations
                      where the crystal diffracts only weakly or to low
                      resolution. Here, the process of determining and refining
                      the structure of Cgl1109, a putative
                      succinyl-diaminopimelate desuccinylase from Corynebacterium
                      glutamicum, at 3 Ang resolution is described using a
                      combination of homology modeling with MODELLER,
                      molecular-replacement phasing with Phaser, deformable
                      elastic network (DEN) refinement and automated model
                      building using AutoBuild in a semi-automated fashion,
                      followed by final refinement cycles with phenix.refine and
                      Coot. This difficult molecular-replacement case illustrates
                      the power of including DEN restraints derived from a
                      starting model to guide the movements of the model during
                      refinement. The resulting improved model phases provide
                      better starting points for automated model building and
                      produce more significant difference peaks in anomalous
                      difference Fourier maps to locate anomalous scatterers than
                      does standard refinement. This example also illustrates a
                      current limitation of automated procedures that require
                      manual adjustment of local sequence misalignments between
                      the homology model and the target sequence.},
      cin          = {ICS-6},
      ddc          = {570},
      cid          = {I:(DE-Juel1)ICS-6-20110106},
      pnm          = {452 - Structural Biology (POF2-452)},
      pid          = {G:(DE-HGF)POF2-452},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000302138400008},
      pubmed       = {pmid:22505259},
      doi          = {10.1107/S090744491104978X},
      url          = {https://juser.fz-juelich.de/record/133925},
}