Well - doing an mtzdump on testXXX.mtz shows most of the DANO are missing..
and also most of the F_gp5-gp27(+)_nat so the problem is farther back..
OVERALL FILE STATISTICS for resolution range 0.000 - 0.119
===
Col SortMinMaxNum % Mean Mean Re
Almost all heavy atoms give a pretty good anom signal at CuKa. Hg Pt Sm
arew great, but Cd and I are useable..
The trick is getting them into the crystal!
Eleanor
Georg Zocher wrote:
Dear James,
A little bit more "old school" but you might also try Uranium,
Samarium and Gadolinium.
In prin
Thank you for your replies.
With Regards,
Raju Gowriishankar
Hi
I've answered Francis privately with the full details, but thought it
may be polite anyway to post a response here. Sorry about the delay,
I've been away.
The short answer is that you need to use the "option of specifying
ipmosflm keywords for the very specialised options that are only
Dear Sir,
I am a new postgraduate from University of Bristol and am doing a project
about protein crystallography. I have a question about minimum requirement
for Mac OSX
I have ordered new Mac desktop, iMac, for doing light job at my home.
I found that a 21.5 inch iMac, Core 2 Duo 3.33 GHz and s
Hi Jakreda,
With that computer you'll be well set to be doing basically everything
you need for crystallography. CCP4, as well as all other programs
you'll use, will run beautifully on that system. I'm currently using a
MacBook Pro (2.4 GHz, core 2 duo) as my main working machine for
crys
The Max-Delbrück-Centrum (MDC) in Berlin-Buch is looking for a
Postdoctoral Research Assistant for Macromolecular Structure and
Interaction to support the operation of the MX beamlines located at the
BESSY II storage ring (headed by Dr. Uwe Müller, BESSY/HZB) and to
conduct research at the MDC unde
I can run CCP4i and Coot on a netbook, so you
should be fine. You have 4X the CPU power of my netbook and dedicated
graphics, so no problemo. My at-work desktop stations are Core 2 Duo
3.0 GHz with NVidia 9000-series graphics cards, 256-1024 Mbyte, with
23" LCD screens, and they are plenty fast
Dear Jakrada,
I agree with Ronnie Berntsson and Roger Rowlett. The only thing that you
can't do on those machines is to work with Coot in stereo 3D. Currently,
you would need a MacPro and a special Nvidia Quadro graphics card (and
stereo glasses & emitter) for that.
Best regards,
Dirk.
Am
On Tue, Oct 27, 2009 at 02:13:48PM +0100, Dirk Kostrewa wrote:
> I agree with Ronnie Berntsson and Roger Rowlett. The only thing that you
> can't do on those machines is to work with Coot in stereo 3D. Currently,
> you would need a MacPro and a special Nvidia Quadro graphics card (and
> stereo g
Hi all
I have pretty low res data (4-4.5A) and was wondering what's the
suggestion for allowing the bfactors to vary or keep them fixed during
scaling. If I fix them, xtriage reports wonderful anomalous signal
whereas if they are varied, the anomalous signal is gone. I have
natives and su
Francis E Reyes wrote:
Hi all
I have pretty low res data (4-4.5A) and was wondering what's the
suggestion for allowing the bfactors to vary or keep them fixed during
scaling. If I fix them, xtriage reports wonderful anomalous signal
whereas if they are varied, the anomalous signal is gone. I
Dear all.
I am looking for a library of small (biologically relevant) compounds to
test binding to a protein. Does somebody know, if there is a company
that sells such a library for fragment based library screening? (to a
reasonable price).
And does anybody has experience with screening such
A PhD position in structural biology is available in the group of
Prof. Utz Fischer at the Institute of Biochemistry, Biocentre of the
Julius Maximilans-University, Wuerzburg/Germany.
The successful applicant will work on the crystallographic structure
determination of the Survival Motor Ne
Try Emerald, reasonable price, nö comment.
Jürgen
..
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
La
to the original poster: please do not attache several MB files...
Tommi
On Oct 27, 2009, at 11:24 AM, Eleanor Dodson wrote:
Well - doing an mtzdump on testXXX.mtz shows most of the DANO are
missing..
and also most of the F_gp5-gp27(+)_nat so the problem is farther
back..
OVERALL FILE ST
informahealthcare.com/doi/pdf/10.1517/17460441.1.1.1
Quoting c.weinert :
Dear all.
I am looking for a library of small (biologically relevant)
compounds to test binding to a protein. Does somebody know, if there
is a company that sells such a library for fragment based library
screening?
Dear colleagues,
is there a parallelized version of Phaser?
How about other programs that are part of the current CCP4 distribution?
Thank you,
Christian Rausch
--
Dr. Christian Rausch r
this will only give an estimate of *electrostatic* contributions via
poisson boltzmann calculations NOT *binding* energy. certainly one way
to try to estimate those (and hyrdophobics via buried surface area?).
perhaps FEP/MD or something that actually takes into account hydrogen
bonding pro
Two new NIH-funded postdoctoral positions are immediately open in the
laboratory of Dr. Yizhi Jane Tao at Rice University, Houston, TX, USA. The
project is to study the structure and function of the RNA virus replication
machinery using X-ray crystallography and other biochemical and biophysical
m
If your crystal diffracts well and tough enough for high redundant
data collection, no HA or using sulfur in your protein will be the
first choice. Even at Cu K-alpha. I think...
N. Watanabe
On 2009/10/27, at 3:32, james09 pruza wrote:
Dear All,
I need some suggestions regarding the SAD p
You have several companies out there that sell that.
You have
Enamine - large collection, good but$,
Maybridge - good but
Zenobia Inc - good, and not so
leo
On 27 Oct 2009, at 14:58, c.weinert wrote:
Dear all.
I am looking for a library of small (biologically relevant)
I can suggest the following reading
Discovering novel ligands for macromolecules uisng X-ray crystallographic
screening
Nienaber VL et al, Nature Biotechnology vol 18 october 2000 pp1105
--
Pascal F. Egea, PhD
Assistant Professor
UCLA, David Geffen School of Medicine
Department of Biological Ch
Zenobia is a good place to look for, they can even customize it your needs.
www.zenobiatherapeutics.com
Sridhar
> Date: Wed, 28 Oct 2009 01:41:22 +
> From: hlsilves...@gmail.com
> Subject: Re: [ccp4bb] small molecule library
> To: CCP4BB@JISCMAIL.AC.UK
>
> You have several companies ou
Dear All,
Our protein is expressed as inclusion bodies and I want to separate
inclusion bodies from E.coli from the cellular debris after* *lysis of the
cells by sonication.
Can I do this by normal centrifugation? and if yes, at what speed?
Our centrifuge has maximum speed of 14000 rpm. Can we d
IB's precipitate in a few minutes at max. speed of tabletop Eppendorf.
Almost any speed above 5-6K in a larger rotor will precipitate them in 10-20
minutes, provided that the density of your IB wash is normal (i.e. you're
not using 70% sucrose, Renografin, or Cesium Chloride etc).
In other term
Hi Christopher,
have a look at this paper and the references.
Using fragment cocktail crystallography to assist inhibitor design of
Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J Med Chem
(2006) vol. 49 (20) pp. 5939-46
The SEC after soaking is a bad idea, you will loose your fr
Fragment based discovery is a fairly new but also fairly well established
technique. There is a difference between fragment screening and targeted
library screening, however notes below generally apply to both:
Libraries depending on what you want to discover you should try to obtain
a target
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