Dear users,
I have a ligand bound data with anomalous signal (due to
Cd at wavelength 1.5417Ang). The structure was solved
using the native structure as MR model. Both native and
ligand data were crystallised in same space group.
1. Native was refined using "no prior information" option
in refmac. Can the ligand bound data be solved using the
"SAD data directly" option in refmac? Will it be wrong to
compare structures refined using different methods?
The maps appear better and more clear if I use SAD data
option.
2. If SAD data option is used, should it be used from the
beginning till the final stage of refinement?
3. When I used SAD data option there were some Cadmium
positions which had two occupancies, but after refinement
the sum of the occupancies was more than 1. What is the
solution for this.
Kindly reply.
Regards
Kavya
--
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.
|