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Re: [ccp4bb]: beast: what i'm doing wrong? : nothing i guess.
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P212121 falls in the cheshire group Pmmm. the cell paramneters of the
cheshire cell are 0.5a, 0.5b, 0.5c.
the asu of pmmm is 0.5 0.5 0.5.
The cheshire cell is basically the space that you have to explore in a
translation search.
so in your P212121 case, you only have to look for xyzlim 0 0.25 0 25 0
0.25 in your own cell.
Check Hirschfeld 1964, acta A A24, 301 or somewhere in the international
tables.
(i shoud as well i think )
The symmetry in the translation peaks that you found is basically a
number of allowed origins that you have picked up.
Greetings,
Peter
Daniele de Sanctis wrote:
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>*** CCP4 home page http://www.ccp4.ac.uk ***
>
>i'm trying to do molecular replacement using beast with a poly-ala
>model, but doing the translation research, i find four peak (stronger
>than the others) which seems to have a sort of simmetry
>
>CLUST mol1 168.89 63.78 77.71 0.3731 0.0345 0.3979 20.545 :
>239 members
>CLUST mol1 168.89 63.78 77.71 0.3777 0.5358 0.3979 20.494 :
>241 members
>CLUST mol1 168.89 63.78 77.71 0.3731 0.5338 0.1174 20.063 :
>191 members
>CLUST mol1 168.89 63.78 77.71 0.3684 0.0324 0.1174 20.016 :
>185 members
>
>my space group is p212121, and i perform the translation research
>between 0 and 0.5, along the three axis
>
>so what could be the cause of that "simmetry" ?
>
>thank you
>d
>
>
>
>Dr Daniele de Sanctis, PhD student
>
> Homo sum humani nil alienum a me puto
>
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