Hi Gianluca,
Have you checked for diffraction anisotropy problems? It might be worth
running it through the STARANISO webserver:
https://staraniso.globalphasing.org/cgi-bin/staraniso.cgi. Anisotropy can
make your data look twinned and elliptical truncation can help improve
maps.
Good luck!
Best,
Hi Kavya,
As others have mentioned, the unit cell is too small to contain your
protein. With a volume of ~4820 Ang^3, the unit cell can contain at most
~268 atoms, excluding hydrogens (divide the volume by 18 to get this
number). If the symmetry is P3, then the asymmetric unit can only contain
~89
Hi Steve,
You could cite this book:
Müller, P., Herbst-Irmer, R., Spek, A.L., Schneider, T.R., and Sawaya M.R.
(2007) Crystal Structure Refinement: A Crystallographer's Guide to SHELXL.
IUCr Texts on Crystallography. J Am Chem Soc. 129, 451–451.
It also lists the expected bond length for a singl
Hi all,
There are lots of great suggestions in this thread. I will just add a
little trick from small molecule crystallography: when trying to estimate
how many atoms can fit in a given volume, you can use the Rule of 18. Take
the volume of interest in Angstroms^3 and divide it by 18 Angstroms^3.
Hi Mirek,
I have absolutely loved this discussion of other options for comparing
datasets! But to your original problem:
To tell CCP4 where r is installed, you need to add this to your $PATH. You
will want to figure out where r is installed on your computer and then add
it to your .bashrc file or
; also respects the environment variable OMP_NUM_THREADS.
>
> Best,
> Tim
>
> On Wed, 16 Mar 2022 17:21:38 -0700 Jessica Bruhn
> <450e5de75376-dmarc-requ...@jiscmail.ac.uk> wrote:
>
> > Hi all,
> >
> > I am wondering if there is a way to limit the nu
along with other jobs and don't want to get myself into trouble.
Thanks so much!
Best,
Jessica
--
Jessica Bruhn, Ph.D
Scientific Group Leader, MicroED
NanoImaging Services, Inc.
4940 Carroll Canyon Road, Suite 115
San Diego, CA 92121
Phone #: (888) 675-8261
www.nanoimagingservice
t-us/careers#Scientific_Programmer_I
Inquiries can be sent to recruit...@nimgs.com or me directly.
Kind regards,
Jessica
--
Jessica Bruhn, Ph.D
Principal Scientist
NanoImaging Services, Inc.
4940 Carroll Canyon Road, Suite 115
San Diego, CA 92121
Phone #: (888) 675-8261
www.nanoimagingservices
Hello,
There have been some really excellent points raised by others (informed
consent, feasibility, etc), but I would like to share a story about another
time humans tried to release a virus on a wild population in order to
further an arguably noble goal:
In the 1850s European rabbits were intro
list, click the following link:
>> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
>>
>
>
> --
> Sharan Karade
> Postdoc-fellow
> IBBR-UMD, 9600 Gudelsky Dr,
> Rockville
> Maryland 20850
>
>
>
> --
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2D crystals, or only micro-3D crystals?
>
> On 08/15/2020 10:40 PM, Jessica Bruhn wrote:
> > Hi Alex,
> >
> > Welcome to the field of microED! From a practical standpoint, microED
> also suffers from the phase problem, and somewhat moreso compared to X-ray
> crystallograph
t; crystallogaphy does NOT suffer from phase problem? How about single
> particle cryo electron microscopy, it should NOT have phase problem, right?
>
> Thanks for any input in it.
>
> Best,
> Alex
>
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>
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rom the CCP4BB list, click the following link:
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e
> > Head of the Centre for X-ray Structure Analysis Faculty of Chemistry
> > University of Vienna
> >
> > Phone: +43-1-4277-70202
> >
> > GPG Key ID = A46BEE1A
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>
>
> --
> --
> Tim Gruene
> Head of the Centre for X-ray Structure Analysis Facul
add some constraints to the lattice type.
>
> Refmac5 can also refine the unit cell parameters (Max Clabbers has
> made use of this feature), but as far as I understand, refmac5
> only scales the unit cell volume isotropically - I am happy to be
> corrected.
>
> Wh
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using these
weak reflections along k hinting at a doubling of the b axis?
Thanks in advance!
Best,
Jessica
--
Jessica Bruhn, Ph.D
Principal Scientist
NanoImaging Services, Inc.
4940 Carroll Canyon Road, Suite 115
San Diego, CA 92121
Phone #: (888) 675-8261
www.nanoimagingservice
prise that the solvent B factors
> appear weird.
>
> best wishes,
>
> Kay
>
> On Wed, 1 Jun 2016 20:48:41 +, Jessica Bruhn wrote:
>
>> I was wondering if anyone had any explanations or tips for fixing things.
>> This dataset was highly anisotropic, so I e
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