Map doesnt fit model!

Barani barani at mace.cc.purdue.edu
Mon Feb 26 09:55:47 EST 1996


  The protein is 18 KDa. Diffracts to 2.8 A. After homology
  modelling, simulated annealing and positional refinements
  the R-factor = 22.0 and R-free = 29.0.  The geometry is
  good (0.01 and 2.0). The refinements are well behaved. No
  water molecule added yet.

  But the electron density map is a NO NO fit with the model!!

  Can't even make out possible helices or strands in the density!!

  From O, the correlation between model and map residue-wise is
  terrible with the best correlation being 0.2 (using rs_fit).

  Crystallography Gurus, Pl advise.

  Thanks.

  -Barani

  chumma at purdue.edu




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