[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ccp4bb]: f'' and group refinement in CNS

***  For details on how to be removed from this list visit the  ***
***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***

Dear all:

    I am trying to get phases for a protein crystallized with CdCl2
(0.2M). I am searching for HA sites on an Eu(NO3)3 derivative by SAD.
Because the crystal contains Cd in adition to the Eu used in soaking, I
have found some rigid arranges that appears to be Cd-Eu-Cd (the
distances between Cd-Eu are ~2.6A, so I think they are not satelite
    I have 2 questions:

1) how can I set f' and f'' values for Eu and Cd  in the same
sad_phase.inp file? Do I need to do this (.sdb file already contains
information about the site type)? Another point is that the logfile
shows 0 for f' and a strange value for f'' (they are not being refined).

2) Is it a good idea to refine this "arrange" as a group ?

    Thank you very much in advance. Any help would be very appreciated.


Ricardo Aparicio
PhD Student at the Brazilian Synchrotron LNLS - http://www.lnls.br
Protein Crystallography Group
Phone +55(19)2874520 / Fax +55(19)2874632