[ccp4bb] 3 PhD and 4 Postdoc positions at MPI Heidelberg

2009-01-21 Thread Ilme Schlichting
The Department of Biomolecular Mechanisms at the Max Planck Institute 
for Medical Research in Heidelberg invites people interested in the 
structure and dynamics of macromolecular switches and assemblies to 
apply for


doctoral degree (Ph.D.) positions (reference number 13/2008) and

postdoctoral positions (reference number 14/2008)

Our department is an international and interdisciplinary team of four 
closely interacting groups. Our main research topics are: mRNA 
processing, chaperone-assisted and unassisted protein folding, and the 
detailed mechanisms of enzyme-catalysed reactions involving flavin or 
haem cofactors. We offer a unique environment of top-level scientific 
research and state-of-the-art technology. For further information, see 
the groups’ web pages at http://wbmm.mpimf-heidelberg.mpg.de/groups. The 
stimulating and productive environment provides young scientists with an 
ideal starting-point for further career steps. Heidelberg is one of the 
top centres for biomedical research in Germany, and graduate students 
have access to several different Ph.D. programmes.


Candidates should have knowledge of and interest in one or more of the 
fields mentioned (with respect to either the research topic or the 
techniques employed), an outstanding track record and excellent skills 
in spoken and written English.


Candidates should send their formal application before February 28, 2009 
to bmm.recruitm...@mpimfheidelberg.mpg.de with the reference number 
given in the subject line. The e-mail should contain a single PDF including
- a brief letter, preferably indicating which of the department’s groups 
would be preferred

- a Curriculum Vitae
- a full list of publications (if applicable)
- a description of past and present research activities (1 page) and
- the names and addresses of referees (two for Ph.D. applicants or three 
for postdoctoral applicants).


Re: [ccp4bb] Molecular replacement using a partial molecular replacement solution

2009-01-21 Thread Herman . Schreuder
Hi Mo,
Phaser sometimes rejects solutions because of clashes in the crystal
packing, which may be due to differences between the search model and
the target molecule. I would certainly recommend to play around with the
PACK keyword to see whether Phaser will find solutions if more clashes
are allowed.
 
Best regards,
Herman




From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On
Behalf Of Mo Wong
Sent: Monday, January 19, 2009 5:37 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Molecular replacement using a partial
molecular replacement solution


Hello,

My problem: I have poorly phased 3.5A data which suggests 6
molecules per ASU, and using MolRep with the experimental phases
(search for model in the map) I have good solutions 3 of them. There
is a lot of empty electron density which needs to be filled with more
copies of the molecule. I have looked for NCS operators as I know this
will improve the map and help with model fitting (the Self Rot function
suggests I have at least 2-fold symmetry), but no luck yet. My current
focus is on using the 3-molecule partial solution as a starting point,
but since I'm not getting anywhere fast, I though I'd post to the
bulletin board.

Can someone please either point me to a MolRep script that
allows me to fix the known solutions, use the experimental phases, and
search for (3?) more copies of the model, or tell if there is something
wrong with the following Phaser scripts below (is it necessary to
apply an operator to the MolRep solution before reading into Phaser?).

Thanks!

#
phaser  eof

MODE MR_FRF

HKLIN overall_best_denmod_map_coeffs.mtz
LABIN F = FP SIGF = SIGFP

ENSEMBLE trimer PDBFILE trimer.pdb IDENTITY 0.25
ENSEMBLE monomer PDBFILE monomer.pdb IDENTITY 0.25
COMPOSITION PROTEIN SEQUENCE trimer.seq NUM 1
COMPOSITION PROTEIN SEQUENCE monomer.seq NUM 3

SOLU 6DIM ENSE trimer EULER 0 0 0 FRAC 0 0 0

SEARCH ENSEMBLE monomer NUM 1

ROOT AUTO_monomer

eof
#
phaser  eof

MODE MR_FTF

HKLIN overall_best_denmod_map_coeffs.mtz
LABIN F = FP SIGF = SIGFP

ENSEMBLE trimer PDBFILE trimer.pdb IDENTITY 0.25
ENSEMBLE monomer PDBFILE monomer.pdb IDENTITY 0.25
COMPOSITION PROTEIN SEQUENCE trimer.seq NUM 1
COMPOSITION PROTEIN SEQUENCE monomer.seq NUM 3

@AUTO_monomer.rlist

ROOT AUTO_monomer2

eof
#






Re: [ccp4bb] Replacement for arp_waters?

2009-01-21 Thread Victor Lamzin

Dear David,

You can use ARP/wARP 7.0.1 (www.arp-warp.org), which should be better 
than old arp_waters. Either the ARP/wARP GUI module 'ARP solvent' or a 
command line script auto_solvent.sh


Best regards,
Victor


David J. Schuller wrote:

I note that in CCP4 6.1.0, arp_waters has been deprecated. Is there a
program in the suite which fills the role formerly filled by arp_waters,
of automatically adding waters?

Cheers,
-  
===

You can't possibly be a scientist if you mind people
thinking that you're a fool. - Wonko the Sane
===
   David J. Schuller
   modern man in a post-modern world
   MacCHESS, Cornell University
   schul...@cornell.edu

  


[ccp4bb] fragments meeting in march

2009-01-21 Thread Pauptit, Richard A
There might be people who are interested in this but have not seen it 
advertised: there is still place available at a not-too-expensive 
fragment-based drug design meeting organised by the Royal Society of Chemistry. 
It takes place March 4th and 5th at our place (AstraZeneca, Alderley Park, 
Cheshire UK). Further details (programme, pdf of final circular) are available 
via www.confsec.co.uk

Richard Pauptit

Associate Director and Principal Scientist
Cell, Protein,  Structural Sciences
AstraZeneca
50S36, Mereside, Alderley Park
Macclesfield SK10 4TG
Cheshire, UK.

email: richard.paup...@astrazeneca.com
tel: +44 1625 516135 



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[ccp4bb] Polarizing filter

2009-01-21 Thread Terje Dokland
We are looking to buy a polarizing filter for our Leica  
stereomicroscope that we use to observe crystals. However, I am a  
little confused about the types of filters  that are available from  
photography stores; specifically there are linear and circular  
polarizers. I would guess that what I need is a linear polarizing  
filter that can rotate, though these are harder to find than the  
circular polarizers that seem to be more common for general  
photography. Any advice? Thanks,

Terje



---
Terje Dokland, PhD
Associate Professor
Department of Microbiology
University of Alabama at Birmingham
845 19th St South, BBRB 311
Birmingham, AL 35294
Tel:(205) 996 4502
Fax:(205) 996 2667

Do. Or do not. There is no try.   -- Master Yoda





Re: [ccp4bb] Polarizing filter

2009-01-21 Thread Bernhard Rupp
Edmunds Optics and Prinz sell linear polarizers

of nearly any thread type/combination, as well as unmounted.

Probably cheaper than Leica.

 

Perhaps search the Edmunds site

http://www.edmundoptics.com/onlinecatalog/browse.cfm?categoryid=166

 

BR

 

From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Terje
Dokland
Sent: Wednesday, January 21, 2009 9:16 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Polarizing filter

 

We are looking to buy a polarizing filter for our Leica stereomicroscope
that we use to observe crystals. However, I am a little confused about the
types of filters  that are available from photography stores; specifically
there are linear and circular polarizers. I would guess that what I need
is a linear polarizing filter that can rotate, though these are harder to
find than the circular polarizers that seem to be more common for general
photography. Any advice? Thanks,

Terje

 

 

---

Terje Dokland, PhD

Associate Professor

Department of Microbiology

University of Alabama at Birmingham

845 19th St South, BBRB 311

Birmingham, AL 35294

Tel: (205) 996 4502

Fax:(205) 996 2667

 

Do. Or do not. There is no try.   -- Master Yoda





 



Re: [ccp4bb] temperature after 30 minutes using microscopes ?

2009-01-21 Thread Matthew . Franklin
CCP4 bulletin board CCP4BB@JISCMAIL.AC.UK wrote on 01/21/2009 05:50:13
PM:

 Hi there,
 *warning, reading beyond this line might expose you to non CCP4
 related topics*

 anybody out there who could do the following experiment:
 Turn on your microscope and measure the temperature after 30 minutes
 where you would place your precious crystal tray.


Okay.

Start: 71.9 F
Finish: 73.1 F

Temperature measured with thermocouple Scotch-taped to the center of the
microscope stage, underneath an empty 96-well plate.  Room thermostat set
to 70.

 In particular I'm interested in LED versus Halogen driven models.


My light source is halogen, but it's coupled to the microscope through a
fiber optic light pipe.  I know from experience that the older model scopes
with the bulb right in the base get quite warm after they've been on for a
while.  I'm pretty sure my fiber optic setup can be retrofitted to most
microscopes...

- Matt

--
Matthew Franklin , Ph.D.
Senior Scientist, ImClone Systems
180 Varick Street, 6th floor
New York, NY 10014
phone:(917)606-4116   fax:(212)645-2054


Confidentiality Note:  This e-mail, and any attachment to it, contains
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Re: [ccp4bb] temperature after 30 minutes using microscopes ?

2009-01-21 Thread Joao Dias

Jurgen,

From your question I assume that you are having problems with the  
warming up of the crystal tray due to the microscope light.
Did you consider the use of an external cold light source like the  
KL1500 LCD?

I do not feel anything warming up.

Which microscope are you using?

The LED systems I have tried are not bright enough.
Try them before you buy.
Suggestion - request a demo to your supplier.

Cheers,
Joao

João M. Dias, Ph. D.
Ollmann Saphire Lab
The Scripps Research Institute
10550 North Torrey Pines Rd. IMM-2
La Jolla, CA 92037 USA
tel (858)784-8925
http://www.scripps.edu/~jmdias/
On Jan 21, 2009, at 2:50 PM, Jürgen Bosch wrote:


Hi there,
*warning, reading beyond this line might expose you to non CCP4  
related topics*


anybody out there who could do the following experiment:
Turn on your microscope and measure the temperature after 30  
minutes where you would place your precious crystal tray.


In particular I'm interested in LED versus Halogen driven models.

Is there anybody out there who would like to comment on LED driven  
microscopes for our purposes ?


Thanks,

Jürgen

-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Biochemistry and Molecular Biology, W8708
615 North Wolfe Street
Baltimore, MD 21205
Phone: +1-410-614-4742
Fax:  +1-410-955-3655




Re: [ccp4bb] Polarizing filter

2009-01-21 Thread Zhijie Li
Hi Terje,

I think the circular polarizers are really linear polarizers with a 1/4-wave 
retarder (which make the polarized light circular again) sticked to the back. 

The reason for them selling the CPs these days is because that digital cameras 
will have problem metering with LPs. But for human eyes, both should work if 
you use it properly - meaning looking from the 1/4-wave plate side. And if you 
are using another one for generating the polarized light, you should make sure 
the polarizer side is facing the sample, and the 1/4-wave plate side is facing 
the light source.


(a) If you place it so that the polarizer side faces the light source (this is 
the normal photographic setup):
normal circular light---|- polarizer-|-linearly polarized 
light-|-1/4-wave plate-|-circularized light again. 

(b)If you place it so that the 1/4 retarder is facing the light source:
 light---|-1/4wave plate-|-circular 
light-|-polarizer-|-linearly polarized light

As you can see, with setup (b) you can generate polarized light, while with (a) 
you can filter the light to only let light with certain polarized angle to pass 
through.

Normally the CP filters you get from photographic stores has the polarizer side 
facing outside, and the 1/4-wave plate facing the camera. If you are not sure, 
you can use a mirror to check it: put the filter between you and the mirror, 
look through the filter, if it looks transparent, then the polarizer side is 
facing the mirror, if the light looks significantly darkened, then the 
polarizer side is facing you. There is a youtube video that shows it: 
http://ca.youtube.com/watch?v=6lVIo9C0NDA
 

Zhijie

- Original Message - 
  From: Terje Dokland 
  To: CCP4BB@JISCMAIL.AC.UK 
  Sent: Wednesday, January 21, 2009 12:16 PM
  Subject: [ccp4bb] Polarizing filter


  We are looking to buy a polarizing filter for our Leica stereomicroscope that 
we use to observe crystals. However, I am a little confused about the types of 
filters  that are available from photography stores; specifically there are 
linear and circular polarizers. I would guess that what I need is a linear 
polarizing filter that can rotate, though these are harder to find than the 
circular polarizers that seem to be more common for general photography. Any 
advice? Thanks,
  Terje




  ---

  Terje Dokland, PhD

  Associate Professor

  Department of Microbiology

  University of Alabama at Birmingham

  845 19th St South, BBRB 311

  Birmingham, AL 35294

  Tel: (205) 996 4502

  Fax: (205) 996 2667




  Do. Or do not. There is no try.   -- Master Yoda







Re: [ccp4bb] temperature after 30 minutes using microscopes ?

2009-01-21 Thread Petr Leiman

Dear Jürgen,

Unless you have to spend your money on a microscope immedeately, it is best 
to evaluate demo instruments from different vendors on site at the same 
time.  All vendors will give you a demo instrument for a few hours to 
several days.


The new Olympus LED instruments are excellent on paper, brighter than the 
halogen lamps, and produce virtually no heat detectable by hand.  However, 
the new LED-containing base produces a diffuse light on the sample, compared 
to the focused beam of the old halogen lamp bases. In my opinion, the 
performance of the LED-containing base is the same or better of a halogen 
lamp-containing base in the highly oblique and dark field modes. In the 
bright field mode, the diffuse illumination of the LED base results in 
flattening of the object.


Perhaps, our Olympus demo instrument (with a LED base) had flaws, but it 
performed worse than an older generation Nikon instrument (halogen lamp) 
with an objective of a smaller aperture.


Petr

-
Petr Leiman
École Polytechnique Fédérale de Lausanne (EPFL)
Cubotron/BSP-415
CH-1015 Lausanne
Switzerland

- Original Message - 
From: Jürgen Bosch jubo...@jhsph.edu

To: CCP4BB@JISCMAIL.AC.UK
Sent: Wednesday, January 21, 2009 11:50 PM
Subject: [ccp4bb] temperature after 30 minutes using microscopes ?


Hi there,
*warning, reading beyond this line might expose you to non CCP4
related topics*

anybody out there who could do the following experiment:
Turn on your microscope and measure the temperature after 30 minutes
where you would place your precious crystal tray.

In particular I'm interested in LED versus Halogen driven models.

Is there anybody out there who would like to comment on LED driven
microscopes for our purposes ?

Thanks,

Jürgen

-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Biochemistry and Molecular Biology, W8708
615 North Wolfe Street
Baltimore, MD 21205
Phone: +1-410-614-4742
Fax:  +1-410-955-3655 


Re: [ccp4bb] temperature after 30 minutes using microscopes ?

2009-01-21 Thread Jürgen Bosch

Here are some numbers
Matthew.Franklin:



Okay.

Start: 71.9 F
Finish: 73.1 F

Temperature measured with thermocouple Scotch-taped to the center of  
the
microscope stage, underneath an empty 96-well plate.  Room  
thermostat set

to 70.



I should have mentioned that I was thinking about fiberoptics and not  
the halogen light directly under the tray.
Still I always had the impression that there's a significant  
temperature difference when using the fiberoptics for a long time e.g  
when mounting crystals.


The microscope in question is a Zeiss and the $ difference between LED  
 halogen is about 2.5K in favour of the LED system.
I have seen the LED version and it seemed good to me - but I have not  
looked at crystal trays of course.


I'll post a summary in a few days.

Thanks for all your replies so far,

Jürgen

-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Biochemistry and Molecular Biology, W8708
615 North Wolfe Street
Baltimore, MD 21205
Phone: +1-410-614-4742
Fax:  +1-410-955-3655


Re: [ccp4bb] temperature after 30 minutes using microscopes ?

2009-01-21 Thread Clemens Grimm
We have tested the Zeiss LED plate with hanging and sitting drop trays  
and found it it unsuitable for looking at crystals. The reason is the  
really low contrast with this kind of diffuse illumination. Obviously,  
contrast is generated by refraction at crystal/mother liquor  
interfaces and this effect diminishes with diffuse light coming from a  
range of incidence angles.


Clemens



Zitat von Jürgen Bosch jubo...@jhsph.edu:


Here are some numbers
Matthew.Franklin:



Okay.

Start: 71.9 F
Finish: 73.1 F

Temperature measured with thermocouple Scotch-taped to the center of the
microscope stage, underneath an empty 96-well plate.  Room thermostat set
to 70.



I should have mentioned that I was thinking about fiberoptics and  
not the halogen light directly under the tray.
Still I always had the impression that there's a significant  
temperature difference when using the fiberoptics for a long time  
e.g when mounting crystals.


The microscope in question is a Zeiss and the $ difference between  
LED  halogen is about 2.5K in favour of the LED system.
I have seen the LED version and it seemed good to me - but I have  
not looked at crystal trays of course.


I'll post a summary in a few days.

Thanks for all your replies so far,

Jürgen

-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Biochemistry and Molecular Biology, W8708
615 North Wolfe Street
Baltimore, MD 21205
Phone: +1-410-614-4742
Fax:  +1-410-955-3655