Dear Georg,
When you start SADABS, the first question is whether you rquire 'expert
mode'. This mode asks more questions to set additional parameters. If
you select expert mode, the second question is the maximum number of
reflections. 200 is merely the default value. I would be
Dear Dialing,
unless this has changed recently, in my experience refmac5 writes the
PDB and MTZ file only at the end of refinement, not intermediately.
Have you ruled out this is an issue with your operating system or file
system setup? Maybe the timestamp is messed up e.g. through an NFS
Dear Georg,
the option [y] in xprep from where you also get the data statistics
prints the CC of your data set and also of two data sets if available.
You can write it to a postscript file - in case you want the numbers for
any reason you can read the postscript file as it is only a text file.
Dear Dialing,
have you any specific reasons to believe that the crated PDB file does
not correspond to the refined model ? This could be easily checked by
comparing the statistics written in the header of the PDB file and those
at the end of the refmac logfile. If they do not differ, then
On the face of it, I wouldn’t get overly excited by the drop. However, I’ve
been underwhelmed and wrong before. If you’ve got access to a synchrotron
beamline that can shoot the material in-situ it might be a good experiment to
try.
Best of luck,
Dave
Dr. David Hargreaves
Associate Principal
How you approach this will depend substantially on the sequence identity
between your target and your potential MR models. Definitely remove all
non-protein atoms from your search model, as these are not likely at all
to be present, or present at these positions, in your target. In
addition to
Hello,
Keeping the waters in a model used for molecular replacement search is
not a very good idea.
I'd suggest first that you use a program like Chainsaw and possibly
additional programs to fine-tune your search model to the problem that
you are trying to solve.
Also, reading material
Dear All,
We seek to recruit a highly motivated individual for an EU-funded Research
Fellowship position to work with Professor Paul Kamer's group.
You will investigate the ‘de novo’ design of transition metalloenzymes, by
functionalising proteins with nitrogen ligands and binding them to
The laboratory: The Panne lab at EMBL-Grenoble focuses on studying the
structural basis of large multi-protein assemblies. We mainly focus on
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Hi all,
I have a heterogeneous collection of mtz files I'm trying to whip into some
kind of standardized vocabulary shape, namely setting column names and
types so that subsequent scripts can sensibly make maps and so forth. I
have set up the ever-useful sftools to do most of this, but of course
Hi,
I got this kind of drop many times with PEG and MPD conditions. It will be
very interesting to study this.
Pankaj
On Tue, Jan 6, 2015 at 7:30 AM, Hargreaves, David
david.hargrea...@astrazeneca.com wrote:
On the face of it, I wouldn’t get overly excited by the drop. However,
I’ve been
The BCA meeting is in York this Easter. We hope to have a good set of
lectures of interest to macro-molecular crystallographers, and also to run
a series of workshops of interest to you when you want a break from
lectures!
Best wishes Eleanor Dodson
Dear Colleagues
You are invited to submit an
Seeking Post-Doctoral candidates for a position in my laboratory located in
the University of Georgia's Department of Pharmaceutical Biomedical
Sciences. In this newly added position, the individual will assist in my
ongoing USDA funded infectious disease related projects that involve the
use of
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