Re: [ccp4bb]: Re: [o-info] R-sym I/sigI etc...

[<rams@poori.biochem.uiowa.edu>]

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Thanks everybody, but I am not done yet....

The overall discussion is very useful.  WE all agree weak data can be very 
useful.... but.. 


Lots of suggestions as to how I can prove my resolution with my maps and 
refinement etc..etc.. I know I can do that.  But I dont think I need to in 
a crystallization paper.  I am just quoting what I see from my crystals.
If I say everything about the structure, then why have a crystallization 
section in ACTA -D.  I will write my structure paper and just mention in 
passing - that my crystals were grown with PEG4000 @pH6.0 - let the next 
person (if somebody ever does) who wants to try reproducing figure it out.

Now  prove that the data was useful - while I 
can prove that very well (now that I have the full structure refined); 
maps improve (I can see my ligand much better). My crystal is anisotropic 
and the average I/sigI is just completely meaningless. etc...etc..

So the take home message - only publish crystallization paper after you 
have full structure - or publish with good numbers (even if tweaked), when 
you cannot solve the structure!!   I suppose many of the powerful ACTA-D 
editorial people I hope are seeing these messages - I wonder if that was 
the purpose of the crystallization communications....

Unless, I see a strong reason to fight - I am planning to cut off data 
from this crystal form. We had data in 2 crystal forms and only one is 
in question.  What I am willing to say in the bulletin board, but not in 
my CYRSTALLIZATION PAPER - is that without multiple crystal averaging, we 
would not have been able to solve the structure for now.  

Will wait a week - cool down a bit more before I respond to the referee.

Thanks for all the support. More flames/suggestions/support welcome.

Rams.




-- 
S. Ramaswamy
Department of Biochemistry.
University of Iowa.