[ccp4bb] arp/warp in p22121

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From: Sebastiano Pasqualato sebastiano {- dot -} pasqualato {- at -} IFOM-IEO-CAMPUS {- dot -} IT
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Subject: Re: arp/warp in p22121
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2007-09-18

Subject: arp/warp in p22121
From: Florian Schmitzberger Florian {- dot -} Schmitzberger {- at -} KI {- dot -} SE
Date: 2007-09-18

Dear All,

I am trying to build a molecular replacement model in arp/warp in space group P22121.
Refmac alone seems to be fine with refining the model in P22121; but arp/warp fails, as far
as I can see at the first Refmac refinement stage. In the log-file it says "this space group is
not supported".

I am wondering whether arp/warp needs the Hermann-Mauguin convention space group
P21212. I suppose I will need to reindex in P21212 in order to use arp/warp? (the diffraction
data were indexed in XDS, scaled in SCALA, and then run through CAD to change the space
group from P222 to P22121). I am using arp/warp via the ccp4i interface.

Also, arp/warp gives the following message when I load the mtz file "cannot extract
arp/warp asymmetric unit limits, the job will fail if run." (i did run arp/warp successfully with
other mtz-files).

Thank you in advance for any comments!

Florian

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CCP4bb <-- 2007 <-- September 2007 <-- 18 September 2007

Previous message:
Subject: pymol movies scripts
From: Sebastiano Pasqualato sebastiano {- dot -} pasqualato {- at -} IFOM-IEO-CAMPUS {- dot -} IT
Date: 2007-09-18

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Subject: Re: arp/warp in p22121
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2007-09-18