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Tom,<br>
<br>
If this lady does indeed send you the data, <br>
Would you be so kind to run the latest version of xtriage on it to see
wheter or not tyhe spacegroup is correct?<br>
<br>
<br>
<br>
<br>
Thomas C. Terwilliger wrote:<br>
<blockquote type="cite"
cite="mid1849.128.165.139.92.1141248651.squirrel@webmail.lanl.gov">
<pre wrap="">Hi Angela,
I think the solution to the first problem is to index your data in the
space group H3 instead of R3 (the hexagonal setting of R3 rather than the
rhombohedral setting). This is the convention these days in many
programs, including in the AutoSol wizard.
The second problem I'm a little less clear on. Can you send me some output
where this happens (or if you like, a tar file with the data) and I'll
have a look at it?
Regards,
Tom T
</pre>
<blockquote type="cite">
<pre wrap="">I am trying to sovle MAD data using the PHENIX software. I am using the
AutoSol
wizard. My data is integrated in R3. Phenix keeps spitting out the error
that
this space group is either unknown or the cell dimensions are
inappropriate to
the space group (the are a=b=c=159 and alpha=beta=gamma=109). Is there a
glitch
with thi space group or am I doing something wrong. Phaser tends to have
the
same problem with this space group and I can not seem to get around it.
If I provide data in a different space group I can get past this problem
only to
be confronted with another problem regarding the column labels in my mtz
files.
I have six data sets collected. Two for each of three different
wavelengths.
Each of the two for a single wavelength is scaled seperately and then
merged
together using ccp4. I have taken a lot of effort to make sure that the
column
labels do not repeat in these files, yet I continually get column label
errors
when I run three mtz files in the AutoSol wizard (one mtz file for each
wavelength). I am getting the same errors in ccp4 as well. There must be
something basic that I am doing wrong with regards to processing my data
and
merging the mtzs together.
Thanks you for your help.
Angela
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