Re: [ccp4bb]: dioxane conformation

["Gerard \"DVD\" Kleywegt" <gerard@xray.bmc.uu.se>]

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you can always see if a map is available from EDS
(uppsala electron-density server; see:
http://portray.bmc.uu.se/eds) - in this case there
is, so you can check the density for yourself

in the pdb file from hic-up (the one with REMARK records)
you will also find a list of other structures in which
the hetero compound occurs (in this case, only in 2NG1)
and the same information can be found if you follow
the link to the pdbsum list - for this entry you can
then also see if a map is available from EDS (there is)

in the next release of hic-up i will include links to EDS

--dvd

> The dioxane at HIC-UP has a boat conformation. Does anyone know if this is
> substantiated in crystal structures?

******************************************************************
                        Gerard J.  Kleywegt
    [Research Fellow of the Royal  Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology  University of Uppsala
                Biomedical Centre  Box 596
                SE-751 24 Uppsala  SWEDEN

    http://xray.bmc.uu.se/gerard/  mailto:gerard@xray.bmc.uu.se
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