[buster-discuss] Help with restraints

[Jonathan Grimes]

  we have a low res data set, with 80% solvent
  and 3.5 dimers in the asym unit.   the dimer is a pair of 
  alpha helices (the molecule is a bZIP protein).  There is 
  disulphide that stabilises the dimer, which we also see on 
  gels.

  we have been asked during the review process to delete the 
  cysteines (ive changed to glycine) and rerefine and calc omit 
  maps ….ie to show big blobs where disulphide is.

  is there a way of restraining the helices to be helices…..what happens 
  is the carbonyls of the glycine refine into the sidechain density

  thanks
  jon



Prof. Jonathan M. Grimes, 
NDM Senior Research Fellow
DIAMOND Research Fellow

Division of Structural Biology
Wellcome Centre for Human Genetics
University of Oxford
Roosevelt Drive,
Oxford OX3 7BN, UK

Email: Jonathan at strubi.ox.ac.uk, Web: www.strubi.ox.ac.uk 
Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547       

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