Dear crystallographers,
I have two datasets that were merged/scaled using ccp4's aimless, with
resolution ranges of 52-1.7 and 57-1.9. However, upon refinement, the
resolution range used by phenix.refine is 36-1.7 for one and 104-1.9 for
the other. 1) Why does phenix.refine change the low
oesn't contain these
peaks (the offending waters look normal).
Has any come across this before? Thoughts?
Thanks,
Andrew Marshall
PhD Candidate
Laboratory of Protein Crystallography
Dept. of Molecular and Cellular Biology
School of Biological Sciences
The University of Adelaide
Hi Scott,
That would be great if you have some references handy?
Thanks very much,
Andrew Marshall
PhD Candidate
Laboratory of Protein Crystallography
Dept. of Molecular and Cellular Biology
School of Biological Sciences
The University of Adelaide
On Wed, Dec 21, 2016 at 1:48 AM, Scott Horowitz
Hi Pavel,
That worked a treat! Thanks again for your help,
Andrew Marshall
PhD Candidate
Laboratory of Protein Crystallography
Dept. of Molecular and Cellular Biology
School of Biological Sciences
The University of Adelaide
On Tue, Dec 20, 2016 at 3:18 PM, Pavel Afonine <pafon...@gmail.
Hi Pavel,
To define a weak bond, would you use "geometry_restraints.edits { ... bond
{... " , and just set a rough distance_ideal and a very high sigma (like
say 5A)?
Or are you referring to something different?
Andrew Marshall
PhD Candidate
Laboratory of Protein Crystallog
be closer (more
like 2.8 or 2.7A). It may be that I've trapped another reaction
intermediate (which would be cool), but I don't think that fits the density
quite as well. Any thoughts/ideas?
Thanks,
Andrew Marshall
PhD Candidate
Laboratory of Protein Crystallography
Dept. of Molecular and Cellular Biology
to
tell phenix to ignore clashes between these specific atoms?
Thanks,
Andrew Marshall
PhD Candidate
Laboratory of Protein Crystallography
Dept. of Molecular and Cellular Biology
School of Biological Sciences
The University of Adelaide
