I agree that looking at the packing is a good idea, but I also agree that
having the wrong space group is a likely possible explanation. That’s the most
common scenario when there are many clashing solutions with high TFZ scores.
Randy Read
On 17 Jun 2014, at 15:52, Roger Rowlett wrote:
> In
Roger,
Given that PAK value is the number of clashing residues I doubt that in this
case it is a loop clash etc.
As a general comment though you are absolutely correct.
Cheers,
Ed
Sent on a Sprint Samsung Galaxy S® III
Original message From: Roger Rowlett
Date:06/17/20
A postdoctoral position in structural biology is available from Sept 2014
earliest in the research group lead by
Tommi Kajander at Institute of Biotechnology, University of Helsinki, Finland.
The position is funded by the Academy of Finland at the Finnish university
salary scale 5.
The goal
Increase the number of allowed clashes in Phaser, re-run it then look at
the packing of the solution found and identify the source of the
clashes. Possibilities for the clash issue include:
1. Wrong space group
2. Flexible loops or termini in search model not present or
differently arranged
Dear ccp4 users,
I get the following message from Phaser when I do a molecular replacement
with two ensembles. One of the ensembles is placed but the second one is
not placed, and then it says this:
Solutions with Z-scores greater than 13.0 (the threshold indicating a
definite
solution) were rej
-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1
Hi Pavel,
maybe I should have explained in better detail to avoid confusion. The
importance of the contribution to the X-ray term from hydrogens has
been well-known (and used in refinement programs) for - I guess - more
than 40 years, but I am sure yo
