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@ARTICLE{Ma:276567,
      author       = {Ma, Peixiang and Xue, Yi and Coquelle, Nicolas and Haller,
                      Jens D. and Yuwen, Tairan and Ayala, Isabel and
                      Mikhailovskii, Oleg and Willbold, Dieter and Colletier,
                      Jacques-Philippe and Skrynnikov, Nikolai R. and Schanda,
                      Paul},
      title        = {{O}bserving the overall rocking motion of a protein in a
                      crystal},
      journal      = {Nature Communications},
      volume       = {6},
      issn         = {2041-1723},
      address      = {London},
      publisher    = {Nature Publishing Group},
      reportid     = {FZJ-2015-06932},
      pages        = {8361},
      year         = {2015},
      abstract     = {The large majority of three-dimensional structures of
                      biological macromolecules have been determined by X-ray
                      diffraction of crystalline samples. High-resolution
                      structure determination crucially depends on the homogeneity
                      of the protein crystal. Overall 'rocking' motion of
                      molecules in the crystal is expected to influence
                      diffraction quality, and such motion may therefore affect
                      the process of solving crystal structures. Yet, so far
                      overall molecular motion has not directly been observed in
                      protein crystals, and the timescale of such dynamics remains
                      unclear. Here we use solid-state NMR, X-ray diffraction
                      methods and μs-long molecular dynamics simulations to
                      directly characterize the rigid-body motion of a protein in
                      different crystal forms. For ubiquitin crystals investigated
                      in this study we determine the range of possible correlation
                      times of rocking motion, 0.1-100 μs. The amplitude of
                      rocking varies from one crystal form to another and is
                      correlated with the resolution obtainable in X-ray
                      diffraction experiments.},
      cin          = {ICS-6},
      ddc          = {500},
      cid          = {I:(DE-Juel1)ICS-6-20110106},
      pnm          = {551 - Functional Macromolecules and Complexes (POF3-551)},
      pid          = {G:(DE-HGF)POF3-551},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000364921600001},
      pubmed       = {pmid:26436197},
      doi          = {10.1038/ncomms9361},
      url          = {https://juser.fz-juelich.de/record/276567},
}