[ccp4bb] Biological assembly

[Kayashree M]

Dear users,

We have a structure which is a homodimer in the asymmetric unit.
PISA predicts most probable assembly as a dimer but this
dimeric assembly is different from what is solved (offcourse
we can generate the symmetry equivalent molecule and get that).

My question is - is it necessary that we deposit a structure, which
PISA predicted as most probable assembly in PDB as an
asymmetric unit & biological assembly or can we deposit a dimer
(asymmetric unit) and give explanation for the biological assembly
according to what PISA predicted.

Other than such predictions what other criteria needs to be
considered to say that one specific assembly is a biological assembly?

Another question-
In this case one of the chain has 3 MSE residues, while the other
chain has only 2 MSE (When we change MET to MSE, there will be a
huge negetive density coming up).

Are there any such instances in PDB, where two homodimer (or any mer)
will have different percentage of MSE?

Thanking you
With Regards
kavya

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