Hi,
If, in your case, no possible asymmetric unit can contain A1-B2, then
you deposit A1-B1 (or I suppose A2-B2...) and indicate to the PDB (like
placing cards in the header cards) the operator to be used (and the
subunit it applies to) in order to generate the most likely biological
dimer. Normally the PDB can take care of that.
Fred.
Kayashree M wrote:
> Respected Sir,
>
> The space group is H3. if I generate the symmetry,
> it appears to be a dimer of trimers stacked one above
> the other with a rotation of 60 deg wrt each other, like
> this - A1, A2, A3 (in one trimer) stacked upon
> B1, B2, B3 (second trimer). So structure that is in the ASU
> is with A1-B1 while PISA predicts A1-B2.
>
> Thank you
> With Reagrds
> Kavya
>
> -----CCP4 bulletin board <[log in to unmask]> wrote: -----
>
> To: [log in to unmask]
> From: James Stroud
> Sent by: CCP4 bulletin board
> Date: 10/19/2011 10:41PM
> Subject: Re: [ccp4bb] Biological assembly
>
> On Oct 19, 2011, at 4:36 AM, Kayashree M wrote:
>> 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).
>
> This last sentence is a bit vague. Can you take the just dimer
> that PISA predicts, fit this dimer to the lattice (i.e. each
> monomer sitting correctly in density but retaining the dimeric
> relationship predicted by PISA), and then generate the complete
> lattice using just this fitted dimer and crystallographic symmetries?
>
> If so, that means that the PISA dimer is equivalent to the ASU you
> can deposit the PISA dimer as the ASU.
>
> James
>
>
>
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