molecular replacement question

Y. W. Chen ywchen at
Thu Mar 30 14:54:03 EST 1995


I have a structure which has one molecule in the asymmetric unit of P6222.  From homologous structures, I believe this monomer forms dimer related by a crystallographic 2-fold.

Having got no obvious solution for cross-rotation function using the monomer as a search model, in space group P6222, I would like to try using the dimer to search in P62.  Since the rotation axis is fixed, I wonder if there is a way to restrict the cross-rotation search to be along a known axis.  I use the CCP4 suite so I would appreciate your advises in response to using CCP4 programs, ie AMORE, ALMN, POLARRFN, and X-PLOR as well.   I suspect I can use POLARRFN and search in the third polar angle (rotation along the axis).  Please advise if there are other methods in doing this.  Thanks in advance.

Yu Wai CHEN                          Department of Biochemistry
.................................             & Molecular Biology
                                     Faculty of Medicine
  tel: (604)-822 5007                2146 Health Sciences Mall
  fax: (604)-822 5227                University of British Columbia
email: ywchen at    Vancouver BC  V6T 1Z3   CANADA

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