data resolution usage

Robert D Scavetta scavetta at XTREME.UCR.EDU
Wed Nov 20 15:36:48 EST 1996


Hi all,

Can we get some clearification as to what resolution should be used during
refinements and map making.

1.  When doing refinements, to what resolution should one use?  Lets say you
have a data set that is >90% complete at 2.7 A, but you have data down to 2.1 A
that is only 60% complete.  At what resolution should one use?  What is
considered complete enough to include in refinements?

2.  When making maps, it has been said to use all your data.  What is meant by
this?  Does it mean to include all high and low resolution data regardless of
completeness?  Or does it mean to include the test set data that was taken out
during refinement for statistical reasons?  OR BOTH?

3.  For the low resolution cutoffs.  What is appropriate?  We have seen varied
scripts where the low resolution cutoff was as low a 5 or as high as 50.  What
cutoffs are appropriate for non-bulk solvent correction and bulk solvent
correction in refinements?  What cutoff is appropriate for making maps?


-- 
Robert D Scavetta
Dr. Frances Jurnak's Laboratory
Department of Biochemistry
1447 Boyce Hall
University of California
Riverside, CA  92521
email:	scavetta at xtreme.ucr.edu
phone:	(909) 787-4196
fax:	(909) 787-3590



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