Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category PHASING_MIR_DER

Description:

   Data items in the PHASING_MIR_DER category record details
   about individual derivatives used in the phasing of the
   structure when methods involving isomorphous replacement are
   involved.

   A derivative in this context does not necessarily equate with
   a data set; for instance, the same data set could be used to
   one resolution limit as an isomorphous scatterer and to a
   different resolution (and with a different sigma cutoff) as an
   anomalous scatterer. These would be treated as two distinct
   derivatives, although both derivatives would point to the same
   data sets via _phasing_MIR_der.der_set_id and
   _phasing_MIR_der.native_set_id.

 
    loop_
    _phasing_MIR_der.id
    _phasing_MIR_der.number_of_sites
    _phasing_MIR_der.details
     KAu(CN)2  3
           'major site interpreted in difference Patterson'
     K2HgI4    6  'sites found in cross-difference Fourier'
     K3IrCl6   2  'sites found in cross-difference Fourier'
     All      11  'data for all three derivatives combined'

Mandatory category: no