[ccp4bb] Junior research position in Structural Biology

2013-01-10 Thread ppereira
***NB: Posted on behalf of Dr. Macedo-Ribeiro, whom you should contact for 
further information (e-mail address below).*** 

The Associate Laboratory IBMC-INEB is recruiting a highly motivated 
researcher to integrate a multidisciplinary team in the field of the 
Biochemistry and Structural Biology of enzymes associated with human 
diseases. A PhD in the appropriate disciplines is mandatory. Previous 
post-doctoral research experience and demonstrated skills in Biochemistry 
and Structural Biology are required. 

Contract: 
The  fixed term contract is limited to 28 months and expected to begin on 
March 1st 2013. The monthly gross salary amounts to 3.191,82 Euros. 

Job description: 
The regulation of biological and pathological processes is achievable 
through specific inhibition, spatial and temporal compartmentalization, 
and post-translational modification of the intervening enzymes. Impairment 
of any of these regulative mechanisms often results in serious pathologies 
to which specific therapeutic approaches can be conceived by understanding 
the molecular details of enzyme specificity, as well as of their strict 
regulation. In order to address the role played by macromolecular 
interactions and/or regulation by post-translational modifications in 
enzyme activity and specificity, we use protein X-ray crystallography 
along with a plethora of complementary biophysical/biochemical techniques. 


We are especially interested in elucidating the molecular mechanisms of 
action of proteins associated with neurodegenerative and infectious 
diseases (
http://www.ibmc.up.pt/research/research-groups/protein-crystallography). 

Application deadline: 20/01/2013 
All details required for application can be found at: 
http://www.eracareers.pt/opportunities/index.aspx?task=globaljobId=32498 

Applications must be submitted online: 
http://www.ibmc.up.pt/institute/open-positions (position Ciência 2008 
Substituição--CONT_DOUT/23/IBMC/316/10253/17/2008).

For more information please contact: 
Dr. Sandra Macedo-Ribeiro 
Protein Crystallography Group 
IBMC- Instituto de Biologia Molecular e Celular 
Rua do Campo Alegre, 823 
4150-180 Porto, Portugal 
(sribeiro_at_ibmc.up.pt) 

--
Pedro J. B. Pereira, PhD
IBMC - Biomolecular Structure Group
Rua do Campo Alegre, 823
4150-180 Porto
Portugal
Tel.  +351 226 074 900
Fax  +351 226 099 157
E-mail ppere...@ibmc.up.pt

[ccp4bb] Job Opportunity at Rigaku Automation

2013-01-10 Thread Mark Benson
Hello

My colleagues at Rigaku Automation based in Carlsbad, California are looking to 
recruit a Research Scientist.  Please feel free to forward to anyone in your 
group who may be interested.

Information on Rigaku Automation and its products can be found here: 
http://www.rigakuautomation.com

Research Scientist  – Protein Crystallization / Protein Crystallography

Rigaku Automation is a premier provider of lab automation equipment to 
structural biology labs worldwide, specializing in protein crystallization. 
Looking for an equally motivated and experienced protein crystallographer to 
join our team in Carlsbad, CA USA. Full benefits package. Send resume to 
raij...@rigaku.commailto:raij...@rigaku.com



Essential Duties and Responsibilities (Additional duties may be assigned.)

· Contribute to the design, development, and testing of new lab 
automation products.

· Perform experiments that illustrate and exemplify the needs of the 
scientific community.

· Act as a scientific advisor to the company by evaluating novel 
scientific methods in terms of their potential to define new products or by 
conducting experiments that drive enhancements of existing ones.


Qualifications

· Ph.D. in protein crystallography; work experience outside academia 
strongly preferred.

· Proven experience with lab automation and detailed knowledge on lab 
workflows and research methodologies, especially in relation to protein 
crystallization.

· Demonstrated ability to work in team environments and impact 
collaborative efforts by independent, creative, scientific thinking.

· Excellent communicator and ability to present and document scientific 
findings and thought processes.

Informal enquiries can be made to Alice Sorensen: 
alice.soren...@rigaku.commailto:alice.soren...@rigaku.com

Thanks

Mark
Rigaku Europe


[ccp4bb] The Institut de Biologie Structurale Jean-Pierre Ebel has a vacancy for a PhD Student

2013-01-10 Thread Monika Spano
Crystallization with an automated microfluidic pipeline: from crystal screening 
to crystal mounting
A PhD position, funded by the CEA, is available in the Synchrotron Group at the 
Institut de Biologie Structurale (IBS) at Grenoble, starting in Autumn 2013. 
IBS is located next to two large European research facilities for X-ray and 
neutron science: the ILL and the ESRF. The project aims at developing an 
automated microfluidic pipeline for protein crystallization. The microfluidic 
chip to be developed will combine the control of temperature and precipitant 
concentration in a user-friendly setup. It will allow systematic optimization 
based on the phase diagram, direct in situ X-ray screening and data collection. 
The pipeline consists of three elements: the microchip for screening, the 
optimization platform and robotic crystal mounting. This system will be tested 
with several structure solution projects in which the Synchrotron Group is 
involved, and where crystal optimization is difficult, including large protein 
complexes (Cdk cyclins) and membrane proteins. We hope that the new device will 
help move forward during the course of the thesis on several of these 
challenging projects.
We are looking for an enthusiastic academically qualified biophysicist, 
physico-chemist or engineer with a strong interest in structural biology and 
multi-disciplinary problems. Experience in macromolecular crystallization and 
or crystallography is an advantage. Given the scope of the project and the need 
for a close collaboration with the other team members as well as with the 
industrial/external partners excellent communication skills and the ability to 
work as part of a team of biologists and engineers are prerequisites.
 
More information on the PhD position can be obtained from:
Monika Budayova-Spano, PhD
Assistant Professor, Faculty of Pharmacy, University Joseph Fourier
Synchrotron Group
Institut de Biologie Structurale J. P. Ebel
CEA-CNRS-UJF UMR 5075
41, Rue Jules Horowitz
38027 Grenoble cedex 1
Tel: + 33 4 38 78 96 13
Fax: + 33 4 38 78 51 22
Email: monika.sp...@ibs.fr
 
Applications including: a detailed resume, a covering letter explaining the 
applicant’s motivation for the position, detailed exam results and the name and 
contact details of at least two references should be sent to 
monika.sp...@ibs.fr and to jean-luc.fer...@ibs.fr.




[ccp4bb] ESRF Users' Meeting 2013 Associated Structural Biology Workshop

2013-01-10 Thread Gordon LEONARD

Hello Everybody,

The ESRF Users' Meeting, to be held in Grenoble from 4-6 February 2013, 
will focus on plans for Phase II of the ESRF Upgrade Programe. Current 
proposals include a major upgrade of the existing ESRF storage ring 
which will boost brilliance by a factor of 30 or more, providing access 
to flux densities in excess of 10^14 photon/s/micron^2 .


In parallel with this year's Users' Meeting we are organising a workshop 
'Seeing is believing: the future of Structural Biology'. The aims of the 
workshop are to present technical details of the proposed upgrade, to 
outline ideas for new scientific opportunities that will arise, to 
explore the limits of Structural Biology at a synchrotron source and to 
promote meaningful discussions between the ESRF and its User Community 
that will help formulate the scientific case for the future of 
Structural Biology at the ESRF.


The program for the Workshop along with details of how to register for 
both the workshop and the Users' Meeting can be found at: 
http://www.esrf.fr/events/conferences/users-meeting-2013-and-workshops/workshop-seeing-is-believing-the-future-of-structural-biology


I encourage as many of our current and future users to attend.

With very best wishes for 2013.

Yours

Gordon



[ccp4bb] Crystallization with acidic bicelles

2013-01-10 Thread Silverman, Jessica L
Hello,

Does anyone have any experience working with acidic bicelles for 
crystallization of membrane proteins?

I am working with a small (~100 amino acid), trimeric protein that is not a 
membrane protein itself but is only fully folded when in the presence of an 
anionic membrane mimetic, such as PC:PA liposomes or SDS. I would like to try 
crystallization with DMPC:DHPC bicelles spiked with DMPA but cannot find a good 
protocol for making this type of bicelle. I have tried adapting the protocol 
from JOVE by Ujwal and Abramson with no success.

Also, what would be a good q value to start with, given that I do not know 
anything about the footprint of my protein?  From what I have read, small q 
ratios (~1) seem to be good for high resolution structure work, but this comes 
mostly from the NMR field.

Thanks!

Jessica

Jessica Silverman
Molecular Microbiology PhD Candidate
Heldwein Laboratory, A611
Tufts University School of Medicine
136 Harrison Ave., Boston, MA

phone: 617-636-0474
email: jessica.silver...@tufts.edu


Re: [ccp4bb] Who invented PDB format?

2013-01-10 Thread Teri Arman
Hi, I appreciate If anybody help me couple of things as follows.

(a1) how multiple PDBs (of same or different space groups) can be brought
into one frame of coordinates, when dealing with many PDBs?

(a2) how does one get scatter plot?

(b) how easily can symmetry related units of original PDB (with description
of which symmetry element has been used) be made when dealing with many
PDBs .

Thank you,
Teri


[ccp4bb] MX BAG training at Diamond Light Source

2013-01-10 Thread Jitka Waterman
To all Diamond MX BAG Users,



Diamond Light Source will be holding the next training day for MX BAG Users on 
Wednesday 27th February 2013. The aim of the day is to provide BAG users with 
sufficient training to be able to operate any of the Diamond MX beamlines 
efficiently and get the most benefit from their beamtime. It is essential that 
each BAG sends at least one representative per calendar year.



Sessions include:



-Automation In Data Analysis and Remote access



-Mini-Kappa Goniometer



-Sample Humidity Control (HC1)



-Microbeam Crystallography



-In Situ Diffraction



-New GDA Client and ISPyB



Registration is free-of-charge with lunch provided on the 27th February and 
accommodation and dinner for the night of the 26th February. Travelling 
expenses within the UK will also be provided. The training is targeted at all 
BAG members and is not limited to students and post docs.



Individuals wishing to register should register here:
http://www.diamond.ac.uk/Home/Events/MX-BAG-training.html



Early registration is recommended as places are limited to twenty and 
registration deadline is on 4th February.



Best wishes,

Jitka Waterman




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Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

 









[ccp4bb] Convert cbf to png/tiff?

2013-01-10 Thread Frank von Delft
Hello all - anybody know an easy way to convert CBF images (Pilatus) 
into something lossless like tiff or png?


Ideally *easy* as in   r e a l l y   e a s y  and not requiring 
extensive installation of dependencies and stuff.  Because then I might 
as well write my own stuff using cbflib and PIL in python.


Thanks!
phx


Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-10 Thread Dmitry Rodionov
I think ADXV will do the trick.

Regards,
Dmitry

On 2013-01-10, at 3:36 PM, Frank von Delft wrote:

 Hello all - anybody know an easy way to convert CBF images (Pilatus) into 
 something lossless like tiff or png?
 
 Ideally *easy* as in   r e a l l y   e a s y  and not requiring extensive 
 installation of dependencies and stuff.  Because then I might as well write 
 my own stuff using cbflib and PIL in python.
 
 Thanks!
 phx


Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-10 Thread Patrick Loll
adxv reads cbf images, and can save them as postscript (actually, it's supposed 
to be able to save the image as tiff as well, but at least on my version of the 
program that feature doesn't work).
Pat

On 10 Jan 2013, at 3:36 PM, Frank von Delft wrote:

 Hello all - anybody know an easy way to convert CBF images (Pilatus) into 
 something lossless like tiff or png?
 
 Ideally *easy* as in   r e a l l y   e a s y  and not requiring extensive 
 installation of dependencies and stuff.  Because then I might as well write 
 my own stuff using cbflib and PIL in python.
 
 Thanks!
 phx



---
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
pat.l...@drexelmed.edu


[ccp4bb] Fwd: Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-10 Thread Frank von Delft

Brilliant - thanks Nat!!  Easy to work around that feature.

And thanks Nick!!




 Original Message 
Subject:Re: [ccp4bb] Convert cbf to png/tiff?
Date:   Thu, 10 Jan 2013 12:47:21 -0800
From:   Nat Echols nathaniel.ech...@gmail.com
To: Frank von Delft frank.vonde...@sgc.ox.ac.uk



Using any recent Phenix distribution:

labelit.png file_name

For reasons unknown to me, the output is named plain.png - I will
bug Nick about this.

On Thu, Jan 10, 2013 at 12:36 PM, Frank von Delft
frank.vonde...@sgc.ox.ac.uk wrote:

Hello all - anybody know an easy way to convert CBF images (Pilatus) into
something lossless like tiff or png?

Ideally *easy* as in   r e a l l y   e a s y  and not requiring extensive
installation of dependencies and stuff.  Because then I might as well write
my own stuff using cbflib and PIL in python.

Thanks!
phx






Re: [ccp4bb] Who invented PDB format?

2013-01-10 Thread Felix Frolow
On Jan 10, 2013, at 18:27 , Teri Arman teriar...@gmail.com wrote:

 
 Hi, I appreciate If anybody help me couple of things as follows.
 
 (a1) how multiple PDBs (of same or different space groups) can be brought 
 into one frame of coordinates, when dealing with many PDBs?
You mean that  axes of inertia of the same molecule  in the different 
structures(PDB's) - L,M,N are superimposed? You superimpose… :-)

 
 (a2) how does one get scatter plot? 
Scatter of what? :-0




 
 (b) how easily can symmetry related units of original PDB (with description 
 of which symmetry element has been used) be made when dealing with many PDBs .

You have to explain better what are you meaning.   :-\



 
 Thank you,
 Teri
 

Dr Felix Frolow   
Professor of Structural Biology and Biotechnology, Department of Molecular 
Microbiology and Biotechnology
Tel Aviv University 69978, Israel

Acta Crystallographica F, co-editor

e-mail: mbfro...@post.tau.ac.il
Tel:  ++972-3640-8723
Fax: ++972-3640-9407
Cellular: 0547 459 608


[ccp4bb] Symmetry operator

2013-01-10 Thread james09 pruza
Hi,

Which program outputs the symmetry operator (rotation and translation)? I
have a dimer in the asymmetric unit and need to know the symmetry operator
to get a tetramer, the active molecule.
James


Re: [ccp4bb] Symmetry operator

2013-01-10 Thread James Stroud
The transformation matrix describing the symmetry is sensitive to the 
coordinate system origin. You should center the entire tetramer on the origin 
(0, 0, 0), where the origin coincides with the point symmetry element.  If you 
have a tetramer with true point symmetry, then the center of the tetramer 
should be the center of mass. Then you can use lsq-expl from O or whatever the 
equivalent is in pymol, phenix, or coot to get the transformation matrix 
between any two monomers.

Repeated application of that transformation matrix to any monomer of the 
tetramer should generate the tetramer.

James

On Jan 10, 2013, at 5:48 PM, james09 pruza wrote:

 Hi,
 
 Which program outputs the symmetry operator (rotation and translation)? I 
 have a dimer in the asymmetric unit and need to know the symmetry operator to 
 get a tetramer, the active molecule. 
 James
 


Re: [ccp4bb] Symmetry operator

2013-01-10 Thread Bosch, Juergen
coot: show symmetry molecules, then save symmetry molecule and you have your 
tetramer most likely

Jürgen

On Jan 10, 2013, at 7:48 PM, james09 pruza wrote:

Hi,

Which program outputs the symmetry operator (rotation and translation)? I have 
a dimer in the asymmetric unit and need to know the symmetry operator to get a 
tetramer, the active molecule.
James


..
Jürgen Bosch
Johns Hopkins University
Bloomberg School of Public Health
Department of Biochemistry  Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Office: +1-410-614-4742
Lab:  +1-410-614-4894
Fax:  +1-410-955-2926
http://lupo.jhsph.edu






Re: [ccp4bb] Symmetry operator

2013-01-10 Thread James Stroud
I need to amend that and make a couple of corrections, after thinking about it. 
First, the rotation-translations shouldn't be sensitive to the origin. Second, 
if it has C4 (square) symmetry, then you only need one generator 
(rotation-translation) to make the tetramer, and the two monomers should be 
adjacent.

If it is T4 (tetrahedral) symmetry, then you need two generators, with one 
generator made from a pair of monomers opposite and one generator made from a 
pair adjacent.

James


On Jan 10, 2013, at 6:05 PM, James Stroud wrote:

 The transformation matrix describing the symmetry is sensitive to the 
 coordinate system origin. You should center the entire tetramer on the origin 
 (0, 0, 0), where the origin coincides with the point symmetry element.  If 
 you have a tetramer with true point symmetry, then the center of the tetramer 
 should be the center of mass. Then you can use lsq-expl from O or whatever 
 the equivalent is in pymol, phenix, or coot to get the transformation matrix 
 between any two monomers.
 
 Repeated application of that transformation matrix to any monomer of the 
 tetramer should generate the tetramer.
 
 James
 
 On Jan 10, 2013, at 5:48 PM, james09 pruza wrote:
 
 Hi,
 
 Which program outputs the symmetry operator (rotation and translation)? I 
 have a dimer in the asymmetric unit and need to know the symmetry operator 
 to get a tetramer, the active molecule. 
 James
 
 


Re: [ccp4bb] Who invented PDB format?

2013-01-10 Thread Teri Arman
Dear Dr. Frolow
Thank you for your mail. I stated again, and hope it is clear now.
TA.

On Fri, Jan 11, 2013 at 4:11 AM, Felix Frolow mbfro...@post.tau.ac.ilwrote:


 On Jan 10, 2013, at 18:27 , Teri Arman teriar...@gmail.com wrote:
  Hi, I appreciate If anybody help me couple of things as follows.
 
  (a1) how multiple PDBs (of same or different space groups) can be
 brought into one frame of coordinates, when dealing with many PDBs?


TA: Suppose we have a segment of structure (PDB). That segment carries
different co-ordinates in different PDBs. How can that segment from
hundreds of PDBs be converted so that we can see all converted segments in
one frame/window
I like to avoid superimposition of hundreds of times


 You mean that  axes of inertia of the same molecule  in the different
 structures(PDB's) - L,M,N are superimposed? You superimpose… :-)

 
  (a2) how does one get scatter plot?
 Scatter of what? :-0



 TA: Suppose a surrounding neighbours of a segment as said above.

  (b) how easily can symmetry related units of original PDB (with
 description of which symmetry element has been used) be made when dealing
 with many PDBs .

 You have to explain better what are you meaning.   :-\



 TA: Each PDB (X-ray structures) has its own space group. I like to
 generate symmetry related whole PDB or a segment of it in hundreds of PDBs
 of different space groups.

 
  Thank you,
  Teri
 

 Dr Felix Frolow
 Professor of Structural Biology and Biotechnology, Department of Molecular
 Microbiology and Biotechnology
 Tel Aviv University 69978, Israel

 Acta Crystallographica F, co-editor

 e-mail: mbfro...@post.tau.ac.il
 Tel:  ++972-3640-8723
 Fax: ++972-3640-9407
 Cellular: 0547 459 608




Re: [ccp4bb] Who invented PDB format?

2013-01-10 Thread Felix Frolow



On Jan 11, 2013, at 03:47 , Teri Arman teriar...@gmail.com wrote:

 Dear Dr. Frolow
 Thank you for your mail. I stated again, and hope it is clear now.
 TA.
 
 On Fri, Jan 11, 2013 at 4:11 AM, Felix Frolow mbfro...@post.tau.ac.il wrote:
 
 On Jan 10, 2013, at 18:27 , Teri Arman teriar...@gmail.com wrote:
  Hi, I appreciate If anybody help me couple of things as follows.
 
  (a1) how multiple PDBs (of same or different space groups) can be brought 
  into one frame of coordinates, when dealing with many PDBs?
 
 TA: Suppose we have a segment of structure (PDB). That segment carries 
 different co-ordinates in different PDBs. How can that segment from hundreds 
 of PDBs be converted so that we can see all converted segments in one 
 frame/window
 I like to avoid superimposition of hundreds of times

Most probably superposition or any other transformation could not be avoided. 
Properly written script will do it for you


  
 You mean that  axes of inertia of the same molecule  in the different 
 structures(PDB's) - L,M,N are superimposed? You superimpose… :-)
 
 
  (a2) how does one get scatter plot?
 Scatter of what? :-0
  
 TA: Suppose a surrounding neighbours of a segment as said above.
 
  (b) how easily can symmetry related units of original PDB (with description 
  of which symmetry element has been used) be made when dealing with many 
  PDBs .
 

Knowing mathematical manipulation of a crystalline space (symmetry operations)  
one can write a script that will do it easy.




 You have to explain better what are you meaning.   :-\
  
 TA: Each PDB (X-ray structures) has its own space group. I like to generate 
 symmetry related whole PDB or a segment of it in hundreds of PDBs of 
 different space groups

Again you will need to write or to get a script that will do it for you. Script 
(little or larger piece of software written using one of the shell syntaxes or 
by modern popular languages such as Python or JavaScript)
may be written to expand each structure by symmetry producing set of 
coordinates of interacting molecules (you decide to what distance or to what 
neighbouring unit cells you wish to expand your structure,
after that you teach your script to make multiple superposition of all to all 
(maybe difficult task) or one to one taking one of the structure as a master 
structure to which you superimpose others. After that you probably will which 
to clean this set of coordinates from expanded molecules that you do not need 
for your research. Again you can do it manually or writing script.






 . 
 
 
  Thank you,
  Teri
 
 
 Dr Felix Frolow
 Professor of Structural Biology and Biotechnology, Department of Molecular 
 Microbiology and Biotechnology
 Tel Aviv University 69978, Israel
 
 Acta Crystallographica F, co-editor
 
 e-mail: mbfro...@post.tau.ac.il
 Tel:  ++972-3640-8723
 Fax: ++972-3640-9407
 Cellular: 0547 459 608
 
Dr Felix Frolow   
Professor of Structural Biology and Biotechnology, Department of Molecular 
Microbiology and Biotechnology
Tel Aviv University 69978, Israel

Acta Crystallographica F, co-editor

e-mail: mbfro...@post.tau.ac.il
Tel:  ++972-3640-8723
Fax: ++972-3640-9407
Cellular: 0547 459 608