[phenixbb] unknown space group problems

Erik Mckee emckee at cs.tamu.edu
Wed Mar 1 14:07:06 PST 2006

Perhaps I am a bit confused here, but doesn't R3 require alpha=beta=90 and
gamma=120?  Or, is this what is meant by the hexagonal setting?

On Wed, 1 Mar 2006, Angela Hoffort wrote:

> 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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