[phenixbb] unknown space group problems

Peter Zwart PHZwart at lbl.gov
Thu Mar 2 10:07:00 PST 2006


yes ma
amy gordon: 510 704  6000

Banumathi Sankaran wrote:

>can u send me the drs phone number pa
>  
>
>
> ------------------------------------------------------------------------
>
> Tom,
>
> If this lady does indeed send you the data,
> Would you be so kind to run the latest version of xtriage on it to see 
> wheter or not tyhe spacegroup is correct?
>
>
>
>
> Thomas C. Terwilliger wrote:
>
>>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
>>
>>
>>  
>>
>>>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
>>>
>>>_______________________________________________
>>>phenixbb mailing list
>>>phenixbb at phenix-online.org
>>>http://www.phenix-online.org/mailman/listinfo/phenixbb
>>>
>>>    
>>>
>>
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>>  
>>
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