Applications are invited for a joint PhD position between research group
of Matthias Rief (TUM), and Kristina Djinovic Carugo (Univ. Vienna)
funded by the Marie Curie Initial Training Network on Muscle Z-disk
Protein Complexes: from atomic structure to physiological function (ITN
MUZIC, http://
I should probably admit that I might be indirectly responsible for the
resurgence of this I/sigma > 3 idea, but I never intended this in the
way described by the original poster's reviewer!
What I have been trying to encourage people to do is calculate R factors
using only hkls for which the s
Hi Sadaf,
You may want to try to play with the occupancy. I have had a case before
where the disulfide bond had double occupancy. In my case it was obvious
because I could see the other density, but sometimes you can just see a
major one due to disorder.
I hope that helps,
Mario Sanches
On Sun,
Could you please expand on your statement that "small-molecule data has essentially no weak
spots."? The small molecule data sets I've worked with have had large numbers of "unobserved"
reflections where I used 2 sigma(I) cutoffs (maybe 15-30% of the reflections). Would you consider those
"we
Yes, I would classify anything with I/sigmaI < 3 as "weak". And yes, of
course it is possible to get "weak" spots from small molecule crystals.
After all, there is no spot so "strong" that it cannot be defeated by a
sufficient amount of background! I just meant that, relatively
speaking, the
Since small molecules are being discussed maybe I should comment. A widely
used small molecule program that I don't need to advertise here refines
against all measured intensities unless the user has imposed a resolution
cutoff. It prints R values for all data and for I>2sig(I) [F>4sig(F)].
The
Hi Sadaf,
Most likely you are dealing with radiation damage. If that's the case, you
would need to refine occupancies as Mario has already suggested. However, you
may not find a double conformation. Instead, you may find that some of your
sulfurs are "gone".
There is a ton of publications on th
