I dont think that is a twinning law, and that SG and cell dimensions are
unlikely to be twinned.
It could be really P1 I suppose with a twin operator -h,k,-l - ie the
SYM op is actually a twin operator..
But twinning usually shows up in the intensity statistic plots - have
you looked at the TRUNCATe plots (Import scaled task if you are reading
scalepack output to convert to mtz file)
Eleanor
Michael Karl Uhl wrote:
Hello everyone,
I have collected a dataset with a resolution of 1.5 A. The indexing with
denzo went very well with the monoclinic cell (62.3120 84.2860 72.8720
90.0000 111.9620 90.0000).
After many trials to determine the structure with MR as well as SAD I
thought that my dataset might be twinned. I reindexed the dataset
triclinic and used detwin to analyse it. The found twinning law
corresponds to "-h,-k,l". But nevertheless it was not possible for me to
determine the structure.
I was thinking about a possible twin law in P21 and tried refmac5 with
the keyword "twin" and the monoclinic dataset. Refmac5 found a twinning
law of "-h, -k, l+h" with a twinning fraction of about 20%. Detwin was
not able to deal with these data and gave following error:
*** FATAL ERROR ***
One of Twin related reflection indices -15 0 52 exceed maximum
allowed values ( 43 59 51)
Increase PARAMETER MAXIND and recompile.
Is this twinning law correct? For me it looks more like a cell
transformation than a twinnnig law.
Thanks for any help.
Best wishes, Michael
--
Mag. Michael Karl Uhl
Research Centre Applied Biocatalyses
c/o Department of Molecular Biosciences - Structural Biology
Karl-Franzens-University Graz
Humboldtstraße 50/3th floor/room 186
8010 Graz, Austria
Phone: +43 316 380 5466
Fax: +43 316 380 9897
[EMAIL PROTECTED]
http://www.Applied-Biocat.at/
http://strubi.uni-graz.at/
