Dear all,
I'm working on a 18kD protein, the secondary structure prediction says most
of the structure is beta sheets, trying to solve the structure with SAD.
Heavy atom soaking gives several datasets with I, W, Au, range from
2.7~3.7A, however, the anomalous signal is pretty weak, I couldn't find
Hi Ian
Yes, I understand that this causes an issue.
My suggestion is to take this off the CCP4BB list and initially discuss this
amongst a smaller group as part of our protein modification remediation
project.
I will contact representatives of the major refinement programs (Refmac,
Ph
Hi John
As Pavel already mentioned, the problem with the ligand covalently bonded
to a standard residue is that the bond is likely to change the geometry of
the residue for atoms that are completely part of the residue, not just the
atoms involved in the link. In that case one would still need to
Hi
The wwPDB procedure on this is listed in the “modified amino acids and
nucleotides” section of
https://www.wwpdb.org/documentation/procedure#toc_2
However, we are aware of the inconsistency in the PDB archive of how these
modifications are represented and that there are lots of ligan
