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I agree with Bart in the "reviewing part" but during refinement I use
all available data, depending on NCS, completeness and redundancy it
might also be lower than 1 sigma but not lower than 0.5. I would expect
that XDS will have a better I/sigI versus e.g. HKL2000 - but maybe
somebody much wiser might comment on this.
Once the refinement is done Table 1 is adjusted to meet the expectations
of reviewers I/sigI and Rsym, but the stuff that goes to the PDB will
contain all data :-)
Jürgen
Bart Hazes wrote:
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Taiana Oliveira wrote:
Hi everybody,
I would like for you to clarify me abou the I/sigma value. I found
articles saying that resolutions with value below 2.0 must be
discarded but that for maxium likelihood methods this rule may be
ignored. How to proceed? What values may be considered as limits in
this case?
In my experience a value of 2.0 is conservative and seems to be used
mostly to avoid arguments with reviewers. There is not a hard cutoff
value but I think you're likely ok to 1.5. As the I/SigI goes down the
information content gets lower but maximum likelihood shoult account
for that. Check Rfree in the highest resolution shell to make sure
there is at least some correlation between model and observations.
Bart
==============================================================================
Bart Hazes (Assistant Professor)
Dept. of Medical Microbiology & Immunology
University of Alberta
1-15 Medical Sciences Building
Edmonton, Alberta
Canada, T6G 2H7
phone: 1-780-492-0042
fax: 1-780-492-7521
==============================================================================
--
Jürgen Bosch
Howard Hughes Medical Institute and
University of Washington
Dept. of Biochemistry, K-418
1705 NE Pacific Street
Seattle, WA 98195
Box 357742
Phone: +1-206-616-4542
FAX: +1-206-685-7002
