Ethan,
The last time I attempted similar things, I had to run rotaprep to
convince scala of using most things that did not come directly out of
mosflm, but that was before the pointless days.
As the reflections are already scaled in P1, I would consider it safe
to rely on the Pointless Rmerge
Hi all,
I've downloaded a structure factor file from the PDB that presents
itself as being triclinic. It contains F, sig(F), and Rfree only.
The P1-ness of this structure is dubious, however.
Pointless is 99.6% sure it's orthorhombic and puts out an mtz file
in P212121 containing
I SIGI
Emma,
You need to provide more information. Luckily, I222 is orthorhombic, so a* is
along a, b* is along b, and c* is along c. This makes things so much easier to
interpret. I hope the plotting conventions you used are typical: b along +y
(North pole), a along +x (to the right), and c perpen
Dear Bill,
whatever analogy you want to draw, you are getting yourself into serious
trouble here
However, regarding cheating, did anybody read the latest publication of
Bernhard Rupp and co-workers:
Pozharski, E. et al.,
Acta Cryst. (2013). D69, 150-167
http://journals.iucr.org/d/issues/20
On Mon, Feb 11, 2013 at 12:12 PM, Tim Gruene wrote:
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> Hash: SHA1
>
> Dear Bill,
>
> I disagree to your criticism. From http://www.ccp4.ac.uk/ccp4bb.php:
> "CCP4bb is an electronic mailing list intended to host discussions
> about topics of general interest to macr
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Dear Bill,
I disagree to your criticism. From http://www.ccp4.ac.uk/ccp4bb.php:
"CCP4bb is an electronic mailing list intended to host discussions
about topics of general interest to macromolecular
crystallographers.[...]"
Personally I am only subscr
Hi,
I wonder how much of an impact should there be on structure refinement,
validation and, last but not least, molecular modeling, if we take into
account the recent (2011) re-definition of the hydrogen bond made by the
IUPAC.
Ref:
"Elangannan Arunan, Gautam R. Desiraju, Roger A. Klein,
Joa
If one tries to use a dye to determine if crystals are protein or salt, then I
recommend that they use both a positive and a negative control. So have some
handy salt or sugar crystals ready along with some known protein crystals to
use as controls.
Jim
From:
Hi Ed,
C7 is the correct name for the atom. Instead of commenting out the line you
could swap the C7 and the CM and then Refmac would correct the atom name if it
is wrong. This is of course very user friendly, but it also keeps users from
using the correct atom names (similar to the nucleic aci
On Mon, 2013-02-11 at 09:56 +0100, Robbie Joosten wrote:
> This is a 'compatability' option in Refmac that internally renames
> atoms. If you comment out 'MMA .C7 CM' in your
> mon_lib_list.cif file, the problem will disappear.
>
Robbie,
thanks a lot - this fixes it.
Is th
The research group of Dr Martin Högbom, in the Department of Biochemistry and
Biophysics at Stockholm University has two PhD student positions currently
available, as part of our quarterly intake of new students.
Project title: Membrane protein structural biochemistry
The inner environment the
Amro
Here is an extract from our paper, describing a method that is almost
infallible, and not too hard to do if you're organized. It can never
give false positives and (in the 3 cases we looked at it) only gave
false negatives when there was heavy precipitate in the drop.
Best wishes, Patrick
Dear Amro,
What you could try is this. Make a solution of 0.5 % (w/v) commassie
brilliant blue in 10% (v/v) ethanol in water. Pipet 1 ul of this into
your drop and close the cover slip. If the crystals are protein, they
should turn blue after some time (typically 30 mins). Salt crystals will
Hi Ed,
This is a 'compatability' option in Refmac that internally renames atoms. If
you comment out 'MMA .C7 CM' in your mon_lib_list.cif file,
the problem will disappear.
Cheers,
Robbie
> Date: Sun, 10 Feb 2013 23:35:25 -0500
> From: epozh...@umaryland.edu
> Subject: [ccp4
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