[ccp4bb]

2008-05-29 Thread Justin Lecher

Xie Jiabao schrieb:

Hi,

Can anyone direct me to a program that calculates a protein cavity's 
dimensions (average) and not just its volume?


Thanks in advance,
Xie


http://loschmidt.chemi.muni.cz/caver/

The program is called caver.

--
Justin Lecher
Institute for  Neuroscience and Biophysics
INB 2 - Molecular Biophysics II
Research centre Juelich GmbH,
52425 Juelich,Germany
phone: +49 2461 61 5385





signature.asc
Description: OpenPGP digital signature


Re: [ccp4bb] dry shipper on airplaine

2008-05-29 Thread Bjørn Pañella Pedersen
Here I must disagree slightly with Preben. I once mentioned 'Twelve Monkeys' to 
the personnel at the check-in counter to lighten the mood (They didn't like the 
fumes coming out from the dewar). I really believe it helped them understand 
what was NOT in the dewar. And we were allowed to board the plane with only the 
slightest delay.


-Bjørn, Ph.D Student

Jens Preben Morth wrote:

Hi Clemens
We normally check in the dewar as normal luggage after we have removed all
liquids, we have never had any problems travelling from Aarhus to SLS.
just remind the students coming along not to mention movies like Twelve
monkeys or outbreak when checking it in.
best Preben


Dear all,

I wonder if it would be still/again possible to check in a dry shipper for
a
flight inside Europe. What is your experience?

Cheers,
Clemens






[ccp4bb] Postdoctoral position in Brighton, UK

2008-05-29 Thread Darren Thompson
UNIVERSITY OF SUSSEX 

School of Life Sciences 

Department of Chemistry and Biochemistry  

 

Postdoctoral Research Assistant in Protein Crystallography

 

Applications are invited for a three year Postdoctoral position, funded by
the MRC, in the laboratory of Dr. Darren Thompson.  The successful candidate
will work on the complement protein, C1. This will involve the use of X-ray
crystallography and other biophysical techniques to investigate the
structure and stability of this complex.

 

The laboratory is situated on the Falmer campus, Brighton, set on the edge
of the Sussex Downs, and just a few minutes away is the lively, friendly
seaside town of Brighton with its great leisure facilities and its rich,
eclectic cultural life.

 

The Chemistry and Biochemistry department is well equipped for protein
biophysics including: Circular dichroism (Jasco CD), and state of the art
UV/Vis rapid scan and fluorescence /anisotropy /CD stopped-flow (Applied
Photophysics p* and SX18MV stopped flow) and equilibrium fluorescence.
Protein crystallography facilities include a RU-H3RHB rotating anode X-ray
generator with Osmic max-Flux optics and RAXIS-IV image plate area detector
and MSC cryo system facilities. Additional biophysics facilities including
ITC and atomic force microscopy. There are also state of the art facilities
for microarrays and the newly-created Sussex Centre for Advanced Microscopy
provides state of the art facilities for confocal, 2-photon, and CCD
microscopy, with fluorescence correlation and lifetime capabilities, a
Hitachi7100 transmission electron microscope and cryo- and scanning electron
microscopy.

 

Applicants should have appropriate degrees and experience in protein
biochemistry or protein crystallography and will hold a PhD, or have
submitted their PhD thesis prior to taking up the appointment. The post is
available immediately, for a period of three years, 

 

Please direct informal enquiries and CVs to Dr. Darren Thompson:
[EMAIL PROTECTED]

 



[ccp4bb] Making a Poly ala model

2008-05-29 Thread Bottomley, Matthew
Dear All, 

Can anyone recommend a windows/PC-friendly program (website?) to convert
a PDB file into a poly-Ala model?

Thanks a lot!

Matt


Matthew J. Bottomley, Ph.D.
Senior Research Biochemist
IRBM / MRL-Rome


Notice:  This e-mail message, together with any attachments, contains 
information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, New 
Jersey, USA 08889), and/or its affiliates (which may be known outside the 
United States as Merck Frosst, Merck Sharp & Dohme or MSD and in Japan, as 
Banyu - direct contact information for affiliates is available at 
http://www.merck.com/contact/contacts.html) that may be confidential, 
proprietary copyrighted and/or legally privileged. It is intended solely for 
the use of the individual or entity named on this message. If you are not the 
intended recipient, and have received this message in error, please notify us 
immediately by reply e-mail and then delete it from your system.


[ccp4bb] FW: Making a Poly ala model

2008-05-29 Thread Bottomley, Matthew
OK - found it, thanks!

Matt
Notice:  This e-mail message, together with any attachments, contains 
information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, New 
Jersey, USA 08889), and/or its affiliates (which may be known outside the 
United States as Merck Frosst, Merck Sharp & Dohme or MSD and in Japan, as 
Banyu - direct contact information for affiliates is available at 
http://www.merck.com/contact/contacts.html) that may be confidential, 
proprietary copyrighted and/or legally privileged. It is intended solely for 
the use of the individual or entity named on this message. If you are not the 
intended recipient, and have received this message in error, please notify us 
immediately by reply e-mail and then delete it from your system.


[ccp4bb] Siemens Multiwire Area Detector X-1000 available

2008-05-29 Thread Aleksander Roszak

To All at CCP4BB:

We have a Siemens X-1000 Multiwire Area Detector to give away. It has  
been manufactured by Siemens Analytical X-ray Instruments Inc. in  
Madison, Wisconsin, USA. Equipment available includes multiwire area  
detector X-1000 itself, its Position Decoding Circuit, the 4-circle  
goniostat with the remote control and the set of collimators. This  
equipment is available free of charge except for the shipping costs. We  
are at University of Glasgow, Glasgow, Scotland, UK.


If you are interested in this equipment (in the described set or in any  
parts of it) please contact me directly using email address  
[EMAIL PROTECTED] Please do not respond to ccp4bb address.


Aleks


 
--

Aleksander W. Roszak, PhD   E-mail: 
[EMAIL PROTECTED]
Protein Crystallography Web:
www.chem.gla.ac.uk/~aleks
University of Glasgow   Fax:
+44-(0)141-330 3779
Level 3 Room B 317  Tel (office):   
+44-(0)141-330 4476
Glasgow Biomedical Research Centre		Tel (X-ray lab): 	+44-(0)141-330  
3589

120 University PlaceMobile: 
+44-(0)780 9559996
Glasgow G12 8TA 
Scotland, UK


Re: [ccp4bb] Making a Poly ala model

2008-05-29 Thread Nicolas Soler
If you have perl installed, just use this script to convert as many 
files as you want once by typing : perl mutala.pl myfile.pdb myfile2.pdb etc


Bottomley, Matthew wrote:


Dear All,

Can anyone recommend a windows/PC-friendly program (website?) to 
convert a PDB file into a poly-Ala model?


Thanks a lot!

Matt


Matthew J. Bottomley, Ph.D.
Senior Research Biochemist
IRBM / MRL-Rome


Notice:  This e-mail message, together with any attachments, contains information of 
Merck&  Co., Inc. (One Merck Drive, Whitehouse Station, New Jersey, USA 08889), 
and/or its affiliates (which may be known outside the United States as Merck Frosst, 
Merck Sharp&  Dohme or MSD and in Japan, as Banyu - direct contact information for 
affiliates is available at http://www.merck.com/contact/contacts.html) that may be 
confidential, proprietary copyrighted and/or legally privileged. It is intended solely 
for the use of the individual or entity named on this message. If you are not the 
intended recipient, and have received this message in error, please notify us 
immediately by reply e-mail and then delete it from your system.
   



--
Nicolas Soler
Institut de Chimie des Substances Naturelles
91190 Gif-sur-Yvette
tel 33-1-69823764
fax 33-1-69823784
http://perso.nicodam.org/

#!/usr/bin/perl -w


#   Mutala: script mutate each residue in alanine in a pdb 
file#
#   Written by Nicolas 
Soler   
#
FONCTIONS###
foreach $fichier (@ARGV) {
open (ENTREE,$fichier);

if (glob "polyala$fichier"){unlink "polyala$fichier"};
open SORTIE, ">>polyala$fichier";
select SORTIE;

while (){if (/^ATOM.{9}(N |C |O 
|CA|CB)..(\w{3})/){s/$2/ALA/;print $_}};

print "END";
close ENTREE;
close SORTIE;}


Re: [ccp4bb] Making a Poly ala model

2008-05-29 Thread Warren DeLano
Within PyMOL:

remove polymer and not name N+CA+C+O+CB
alter polymer, resn="ALA"
save polyALA.pdb

Cheers,
Warren

--
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Bottomley, Matthew
Sent: Thursday, May 29, 2008 5:35 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Making a Poly ala model

Dear All, 
Can anyone recommend a windows/PC-friendly program (website?) to convert
a PDB file into a poly-Ala model? 
Thanks a lot! 
Matt 
 
Matthew J. Bottomley, Ph.D. 
Senior Research Biochemist 
IRBM / MRL-Rome 
 
Notice:  This e-mail message, together with any attachments, contains
information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station,
New Jersey, USA 08889), and/or its affiliates (which may be known
outside the United States as Merck Frosst, Merck Sharp & Dohme or MSD
and in Japan, as Banyu - direct contact information for affiliates is
available at http://www.merck.com/contact/contacts.html) that may be
confidential, proprietary copyrighted and/or legally privileged. It is
intended solely for the use of the individual or entity named on this
message. If you are not the intended recipient, and have received this
message in error, please notify us immediately by reply e-mail and then
delete it from your system.


[ccp4bb] mutation to cysteines

2008-05-29 Thread amit sharma
Dear All,

Sorry for a non-CCP4 question. I intend to mutate a couple of residues to
cysteines(so that they form a disulphide linkage) in a certain region of my
protein. Could I please be directed to program(s) that would reliably let me
do that, prior to primer designing?

Thanks in advance,
Amit


Re: [ccp4bb] mutation to cysteines

2008-05-29 Thread Venkataraman Kabaleeswaran
Hi Amit

You can try MODIP  http://caps.ncbs.res.in/dsdbase//dsdbase.html, which give 
you  the stereochemical possibility of disulphide linkage between the residues.

Not sure about the success rate based on the result from this database.

hope this helps


 VK

Kabaleeswaran Venkataraman


Arise, Awake and stop not until goal is Reached 
-  Swami Vivekanand



- Original Message 
From: amit sharma <[EMAIL PROTECTED]>
To: CCP4BB@JISCMAIL.AC.UK
Sent: Thursday, May 29, 2008 11:03:48 AM
Subject: [ccp4bb] mutation to cysteines


Dear All,
 
Sorry for a non-CCP4 question. I intend to mutate a couple of residues to 
cysteines(so that they form a disulphide linkage) in a certain region of my 
protein. Could I please be directed to program(s) that would reliably let me do 
that, prior to primer designing?
 
Thanks in advance,
Amit


  

[ccp4bb] Well-paid crystallography postdoc position in Oslo

2008-05-29 Thread Ute Krengel
I have a 2-year postdoctoral research fellowship available in my group
(financed by the Norwegian Research Council, project title "Postgenome
glycomics: The structures, interactions, and functions of complex sugars
attached to proteins and lipids").

The position is available immediately, but the starting  date can be
agreed on (latest January 1st 2009). In special circumstances, the
candidate may be employed as a researcher.

The project will be in the field of protein crystallography, with a
focus on protein-carbohydrate interactions of medically relevant systems.
Experience with membrane proteins can be an advantage. The candidate is
further expected to actively take part in the maintenance of the X-ray
equipment and crystallographic software.

Pay Grade: 54 – 58  (NOK 394.700 – 423.800 depending on  qualifications
and seniority)

Application details can be found at:

http://www.admin.uio.no/opa/ledige-stillinger/2008/vit/PostdocChemistry-2008--9152.html

Deadline: June 17th

Cheers,

Ute


--
Ute Krengel, PhD
Chalmers University of Technology
Center for Structural Biology
Department of Chemistry and Bioscience
P.O.Box 462
SE-405 30 Göteborg, Sweden

Tel : +46 31 773 3237
Fax : +46 31 773 3910
e-mail : [EMAIL PROTECTED]
URL: http://www.csb.gu.se/ute
--


Re: [ccp4bb] mutation to cysteines

2008-05-29 Thread Van Den Berg, Bert
Try the program disulfide by design: http://www.ehscenter.org/dbd/
Its easy to install (at least on windows) and to run. You put in a PDB file and 
the program will look in the structure where disulphide bonds are possible. It 
also ranks the candidates in energies. Finally, it can generate a PDB file with 
a particular disulphide. Quite a nice program.


Bert van den Berg
University of Massachusetts Medical School
Program in Molecular Medicine
Biotech II, 373 Plantation Street, Suite 115
Worcester MA 01605
Phone: 508 856 1201 (office); 508 856 1211 (lab)
e-mail: [EMAIL PROTECTED]
http://www.umassmed.edu/pmm/faculty/vandenberg.cfm



-Original Message-
From: CCP4 bulletin board on behalf of amit sharma
Sent: Thu 5/29/2008 11:03 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] mutation to cysteines
 
Dear All,

Sorry for a non-CCP4 question. I intend to mutate a couple of residues to
cysteines(so that they form a disulphide linkage) in a certain region of my
protein. Could I please be directed to program(s) that would reliably let me
do that, prior to primer designing?

Thanks in advance,
Amit



[ccp4bb] thermofluor - Thermal Shifts - Tm and Delta Tm

2008-05-29 Thread ANDY DODDS
Hello,

we want to use the thermofluor thermal shift assay to screen for buffers
that our proteins are happy in.

Reading around the subject, I am a bit unclear as to what to be looking for
with regard to a stabilizing affect.  Initially, we thought, the higher the
Tm, then the more stabilizing the buffer is, but reading further we have
observed several examples where, the Tm is raised, but yet the Delta-Tm
indicates a destabilizing affect.  How can this be so?  Any references
regarding a good explanation of Delta-Tm would be great.


thanking you


Andy Dodds


Re: [ccp4bb] mutation to cysteines

2008-05-29 Thread Bart Hazes

amit sharma wrote:

Dear All,
 
Sorry for a non-CCP4 question. I intend to mutate a couple of residues 
to cysteines(so that they form a disulphide linkage) in a certain region 
of my protein. Could I please be directed to program(s) that would 
reliably let me do that, prior to primer designing?
 
Thanks in advance,

Amit
 
 


One more option is to use my first ever fortran program SSBOND. You can 
use it via a web interface at

http://eagle.mmid.med.ualberta.ca/forms/ssbond.html

It has been cited 57 times, I didn't check them all, but from what I've 
heard it works well.


Bart


==

Bart Hazes (Assistant Professor)
Dept. of Medical Microbiology & Immunology
University of Alberta
1-15 Medical Sciences Building
Edmonton, Alberta
Canada, T6G 2H7
phone:  1-780-492-0042
fax:1-780-492-7521

==


[ccp4bb] waaay off topic...

2008-05-29 Thread Patrick Loll

...but I know you'll come through.

I'm looking for recommendations for a good textbook covering  
fluorescence spectroscopy.


Thanks in advance.

Pat

 
---

Patrick J. Loll, Ph. D. 
Professor of Biochemistry & Molecular Biology
Director, Biochemistry Graduate Program
Drexel University College of Medicine
Room 10-102 New College Building
245 N. 15th St., Mailstop 497
Philadelphia, PA  19102-1192  USA

(215) 762-7706
[EMAIL PROTECTED]



Re: [ccp4bb] waaay off topic...

2008-05-29 Thread Roopa Thapar
A good book is:

Principles of Fluorescence Spectroscopy
Joeseph R Lakowicz


Roopa Thapar


On Thu, May 29, 2008 1:16 pm, Patrick Loll wrote:
> ...but I know you'll come through.
>
> I'm looking for recommendations for a good textbook covering
> fluorescence spectroscopy.
>
> Thanks in advance.
>
> Pat
>
> 
> ---
> Patrick J. Loll, Ph. D.
> Professor of Biochemistry & Molecular Biology
> Director, Biochemistry Graduate Program
> Drexel University College of Medicine
> Room 10-102 New College Building
> 245 N. 15th St., Mailstop 497
> Philadelphia, PA  19102-1192  USA
>
> (215) 762-7706
> [EMAIL PROTECTED]
>
>


-- 
Roopa Thapar
Assistant Professor, University of North Carolina
Visiting Scientist, Hauptman-Woodward Institute
700 Ellicott Street, Buffalo, NY 14203


Re: [ccp4bb] insect expression system

2008-05-29 Thread Yong-Fu Li
Thanks to all that replied. You might find this useful.



The question was: How to select an insect expression system for
mammalian/viral glycoproteins? The following is a summary of the replies.



*1. Baculovirus system*

1) For most proteins, the level of expression is far greater with
bacuovirus. (Dima Klenchin)

2) An interesting system: BacMam.

BacMam recombinant baculovirus in transporter expression: a study of BCRP
and OATP1B1. Protein Expr Purif. 2006 Jun;47(2):591-8. Epub 2006 Jan 30.
(Pius Stephen Padayatti)



*2. Drosophila system*

1) With S2 you can get away without figuring out if the virus works, then
again you probably need a stable cell line... (so which ever works...?)
(OBS! cant do SeMet labelling with S2!! or if someone can please tell me)
(Tommi Kajander)



2) We use S2 (drosophila cells) for generating our protein. Baculovirus is
much more complicated to get running  whereas S2 may generate slightly lower
amounts of protein, but you will be able to get a system up and running
quite quickly. In my experience I've had cases where I was only able to get
very low virus titres for use, whereas the drosophila cells were able to go
rapidly to expression for the same protein. The S2 cells are also a
non-lytic system, so your protein will not get degraded so easily as they
might in a lytic virus system. In my case I've tried them side-by-side and
found S2 cells to be best (but that's obviously just in one case). (Paul A.
McEwan)



*3. Just use mammalian system!*

1) Why would you worry about insect expression systems if you already can
secrete your constructs in mammalian cells? For such proteins, transient
expression in HEK cells for example gives higher yields than baculo, is
faster, cheaper, you can nicely control glycosylation, easily do Se-Met
labelling and so on. Here are some references (PMID): 17355862, 17001101,
16823037,  11788735, 16082028. (Radu Aricescu)



2) I couldn't agree more with Radu. We had great success in expressing mg
amounts of a secreted protein in HEK293 cells (with Radu's help :-) . The
same protein was initially expressed in Sf9 cells but with much lower
yields. Furthermore, we could very easily generate a stable HEK293 cell line
expressing the same protein (at similar levels with transient transfections)
with the Flp-In system in just a couple of weeks. We also have a LIC vector
which is compatible with the Flp-In system. (Vangelis Christodoulou)


[ccp4bb] hkl to mtz with anomalous data

2008-05-29 Thread Tim Gruene

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1

Hello everyone,

we have been trying to convert an unmerged hkl-file to mtz such that the 
labels F+/F- or F/DANO (or I+/- etc respectively) are calculated, and 
failed so far.


We would appreciate a hint towards the correct program/ options to use.

Cheers, Tim


- --
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.6 (GNU/Linux)

iD8DBQFIPwTtUxlJ7aRr7hoRArlLAJ4lTJrPhXjK/vRMf/kjOF0eKseOWACg0fAo
iVQ+htqUa6tbyo4PXYMPEYg=
=CKRB
-END PGP SIGNATURE-