Dear Jacob,
The latest WHAT IF/WHAT_CHECK (http://swift.cmbi.ru.nl/servers/html/index.html
-- Build/check/repai model -- template structure check) does ion checks in a
way similar to WASP. It does take symmetry into account and also checks if your
ions could be another ion. If you add a
Yes - we are puzzling over the same phenomena.
Look at this web site set up by Marjorie Harding
http://tanna.bch.ed.ac.uk/
It lists the likely coordination patterns.
We certainly have ideal Na bonding in our structure - but unfortunately
we wanted to find Ca which has a very similar
I'm puzzled about this. If the B's listed by Refmac in the PDB
file are the residuals that are to be added to the values derived
from the TLS model, shouldn't they have a distribution with a mean
value of zero? Why would one what a minimal residual of 2A^2?
Aren't negative residuals not only
Dear All,
Sorry for the not strictly crystallography-related question.
We are currently setting up a fermentation core and are considering
purchasing a T1 Sharples continuous flow centrifuge. It is a mid-range
capacity instrument. We will be processing bacteria and yeast.
I was wondering if
Dear all,
could anyone recommend a lab in Europe with a crystallization lab designed
with a good,
clever working environment for temperature/(humidity) control with
sufficient air conditioning backup, etc?
Especially if it includes lower and higher temperature environments (~10 or
30 deg).
I do
On Tuesday 16 February 2010 10:54:49 Dale Tronrud wrote:
I'm puzzled about this. If the B's listed by Refmac in the PDB
file are the residuals that are to be added to the values derived
from the TLS model, shouldn't they have a distribution with a mean
value of zero? Why would one what a
But you are correct that refmac should allow the residuals to go negative.
This is what phenix.refine does when you do combined TLS + individual
isotropic ADP refinement.
Pavel.
After having seen many Na+ ions very likely correctly built and refined and
many potential Na+ sites with
a very clear indication that the bond valence sum is already on the border
of being water and being an ion
I would say that Na+ binding in proteins happens quite often and probably
escapes
Maybe it was a bit early to turn on TLS. Pseudomerohedral twinning of
a P21 crystal with a and c approximately equal often looks like C2221
with an appropriate transformation of the axes, that could explain the
high R-values.
George
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
Only Sharples i've had experience with was an old steam-driven model-
I wouldn't recommend that. Actually it looked a lot like the T1
at http://boto.ocean.washington.edu/file/show/2340
except for the motor.
An alternative you should consider is the sorval thermos (fisher?)
Heraeus Stratos
Hi everyone,
I've been looking at ways to convert an old hkl file from a CNS refinement (see
details below) into an mtz file.
F2mtz in ccp4 will do this once I have told it the fortran format of the hkl
file (below), and specified the data type and label for the input fields.
However, I'm not
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