Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-28 Thread Saul Hazledine
Hello,
  I'm one of the ARP/wARP developers. Sorry for the slow reply - this is down 
to time differences. I'll install RHEL6 and try the ARP/wARP install and then 
report back. This may take a day or so though.

My suspicion, based on previous bug reports, is that this problem is related to 
the TCL installation. The UnpackTaskArchive subroutine is part of the CCP4 API:

http://www.ccp4.ac.uk/ccp4bin/viewcvs/*checkout*/ccp4/ccp4i/help/programmers/progdocs/install_utils.html#UnpackTaskArchive

We've found that the behaviour of this call is dependent on TCL versions and 
that we have problems installing on 64bit fink (OSX) because the version of 
TCL. When I download and install CCP4 onto Ubuntu or SUSE I get a big package 
(1GB) that contains CCP4 and a compatible version of TCL. The CCP4 
installation then adds the following calls to my .bashrc:

source /home/saul/ccp4-linux-6.2.0/setup-scripts/sh/ccp4.setup
source /home/saul/ccp4-linux-6.2.0/setup-scripts/sh/ccp4-others.setup

The ccp4-others.setup pulls in the correct TCL environment. Is your 
installation of CCP4 similar?

Thanks for reporting this problem - it will hopefully improve future versions 
of ARP/wARP.

Saul Hazledine

On Jul 28, 2011, at 2:31 AM, Jonathan Kay wrote:

 Hi all,
 
 I have a RHEL 6 x86_64 machine I recently installed CCP4-6.2.0 onto; the 
 install went through fine, but when I went to install the ARP/wARP GUI (via 
 System Administration - Install/uninstall task), I received the following 
 error in the shell window I started ccp4i from:
 
 UnpackTaskArchive: uncompress failed to create 
 /tmp/user/install_ARP_wARP_CCP4I6/ARP_wARP_CCP4I6.tar
 ExamineTaskArchive: failed to unpack temporary copy of 
 /usr/local/arp_warp_7.1/ARP_wARP_CCP4I6.tar.gz
 
 /tmp is not at all full and has plenty of inodes left.
 (running the install.sh from the arp_warp_7.1 directory doesn't install it 
 either)
 
 I have searched around for some solutions, but haven't found anything really 
 relevant.
 The odd thing I have another x86_64 machine running RHEL 5 that I can do the 
 exact same install method and it works (and using the install.sh from 
 arp_warp_7.1/ works too), so I wonder if something changed with RHEL6 that 
 might be causing problems?
 
 Anyone have any suggestions?
 
 Thanks!
 Jonathan


Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-28 Thread Saul Hazledine
Hello,
  My reply is in the text below:

On Jul 28, 2011, at 6:00 AM, ccp4 wrote:

 A plea from West Australia too.
 I was sitting with someone yesterday who was trying to install it on a Mac
 , and finding it a nightmare. 

We're working on improving this. I believe the main issue is that CCP4 has 
become more user friendly and installs from a DMG, while the ARP/waRP 7.1 
install is still showing its Unix command line roots. 

 He finally got it set up as a local installation, whereupon it promtly
 failed. 

We use Macs a lot here with few problems  (and various versions of CCP4) so my 
first suspicion is that this might be an install problem.

 The message said See refmac-last.log but that told us nothing, and indeed
 refmac seemed to have worked..
 

Would it be possible to send me the install.log that is created in the ARP/wARP 
install directory? Also, the refmac-last.log that will be created in the 
directory where ARP/wARP was working?

Its probably best if the remaining communication is done by direct email.

I'm sorry for the trouble that you are having.  I hope we can fix the problem 
and prevent it happening to others in future.

Saul Hazledine

Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-28 Thread Andreas Förster

Dear all,

I had no problem with Arp/wARP, but I didn't reinstall.  Assume ccp4 
sits in /installation/directory/ccp4 and arp in 
/installation/directory/arp_warp_7.1.  The new ccp4 doesn't recognize 
the existing arp because the task interface is not installed.  I run 
./install.sh in /installation/directory/arp_warp_7.1, and five seconds 
later, all is good.


I hope this is of help for someone.


Andreas




On 28/07/2011 4:35, Ethan Merritt wrote:

On Wednesday, 27 July 2011, you wrote:

Hi Jonathan,
seems to be a UW centered day today on the BB (Eric, Jan, you, me).
Have the permissions changed ? I assume you are installing as root ?
Wouldn't be surprised if Ethan replies soon :-)


Sure.

I hit the same problem trying to install Arp/wARP on Mandriva.
The specific error message you quote comes because the install
script fails to create the temp directory before trying to unpack
into it.  You can fix that by creating the directory by hand first.
Unfortunately, that doesn't help very much.  The next thing that
happens is that the ccp4i installer complains that the tarball
is not recognized as a ccp4i install tarball.  I gave up at that
point.

Ethan





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
Lab:  +1-410-614-4894
Fax:  +1-410-955-3655
http://web.mac.com/bosch_lab/

On Jul 27, 2011, at 20:31, Jonathan Kayjp...@u.washington.edu  wrote:


Hi all,

I have a RHEL 6 x86_64 machine I recently installed CCP4-6.2.0 onto; the install 
went through fine, but when I went to install the ARP/wARP GUI (via System 
Administration -  Install/uninstall task), I received the following error in 
the shell window I started ccp4i from:

UnpackTaskArchive: uncompress failed to create 
/tmp/user/install_ARP_wARP_CCP4I6/ARP_wARP_CCP4I6.tar
ExamineTaskArchive: failed to unpack temporary copy of 
/usr/local/arp_warp_7.1/ARP_wARP_CCP4I6.tar.gz

/tmp is not at all full and has plenty of inodes left.
(running the install.sh from the arp_warp_7.1 directory doesn't install it 
either)

I have searched around for some solutions, but haven't found anything really 
relevant.
The odd thing I have another x86_64 machine running RHEL 5 that I can do the 
exact same install method and it works (and using the install.sh from 
arp_warp_7.1/ works too), so I wonder if something changed with RHEL6 that 
might be causing problems?

Anyone have any suggestions?

Thanks!
Jonathan






--
Andreas Förster, Research Associate
Paul Freemont  Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
http://www.msf.bio.ic.ac.uk


Re: [ccp4bb] Fab:antigen complex crystallization!!!

2011-07-28 Thread Andreas Förster

Hi Ivan,

you might also want to find out what buffers your particular system likes.

Jancarik et al. Optimum solubility (OS) screening: an efficient method 
to optimize buffer conditions for homogeneity and crystallization of 
proteins. Acta Crystallogr D Biol Crystallogr (2004) vol. 60 (Pt 9) pp. 
1670-3



Andreas



On 28/07/2011 4:40, xaravich ivan wrote:

Hi everyone,
I have been trying to crystallize Fab:antigen complex( 50kda:90kDa)
complex and initially got needle clusters which after microseeding gave
me single crystals but they are very small and I could not repeat the
results. I have been using HEPES buffer at pH 6.8 to do the final SEC
purification step of the complex before setting trays.
I was wondering whether there are some other buffers (that one could
suggest eg tris-hcl etc) which have given decent positive results when
crystallizing Fab complexes.Though I have gone through individual papers
(case by case) to get some idea, It would be great if anyone could
direct me to a comprehensive literature towards studying the
crystatllization conditions of Fab complexes.
  Equally, people who have considerable experience could suggest a list
of must do steps for such problems which have routinely been practiced
in their lab


Also what is a good storage condition for the excess complex that you
want to use later?

I would really appreciate any suggestion,help, direction.

Thanks
ivan


--
Andreas Förster, Research Associate
Paul Freemont  Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
http://www.msf.bio.ic.ac.uk


Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-28 Thread Wei-Chun Kao
Hi,

I recently found the problem that after finishing the installation of
CCP4-6.2.0 on RHEL5, if the installation destination is not the default path
(/usr/local/), the ccp4.setup for csh wouldn't take the customized TCLTK
path correctly. No matter if I used sh or csh to install the CCP4 package.
This would result in programs using wish failed to start (e.g., ccp4i) from
csh. Perhaps it's also related to the issue in this thread.

Wei-Chun


 We've found that the behaviour of this call is dependent on TCL versions
 and that we have problems installing on 64bit fink (OSX) because the version
 of TCL. When I download and install CCP4 onto Ubuntu or SUSE I get a big
 package (1GB) that contains CCP4 and a compatible version of TCL. The CCP4
 installation then adds the following calls to my .bashrc:

 source /home/saul/ccp4-linux-6.2.0/setup-scripts/sh/ccp4.setup
 source /home/saul/ccp4-linux-6.2.0/setup-scripts/sh/ccp4-others.setup

 The ccp4-others.setup pulls in the correct TCL environment. Is your
 installation of CCP4 similar?

 Thanks for reporting this problem - it will hopefully improve future
 versions of ARP/wARP.

 Saul Hazledine




[ccp4bb] PostDoctoral Fellow in Synchrotron Crystallography

2011-07-28 Thread Thomas R. Schneider

A postdoctoral position in synchrotron crystallography is
available at EMBL Hamburg in the group of Thomas Schneider.

If you would like to join an international team of nice
and motivated people to work on interesting projects during
the commissioning phase of our new beamlines on PETRA III,
please have a look at:

  http://www.embl-hamburg.de/aboutus/jobs/index.php

For informal enquiries, please contact me directly via email.

For recent highlights, see

  http://www.embl-hamburg.de/facilities/petra/highlights

---
Dr. Thomas R. Schneider
Project Coordinator EMBL@PETRA3
EMBL c/o DESY
Notkestr. 85  fax: 0049-(0)40-89902-149
22603 Hamburg   phone: 0049-(0)40-89902-190
Germany  email:thomas.schnei...@embl-hamburg.de
---
EMBL@Petra3: http://www.embl-hamburg.de/services/petra/index.html
---


Re: [ccp4bb] ARP/wARP install on 6.2.0 RHEL 6?

2011-07-28 Thread Anastassis Perrakis
My two cents: I am installing arp/warp on my Mac since ages and it works ;-)

The only thing you need to make sure is that you grab ownership of the 
/usr/local directory to you as a user, if you installed ccp4 from dmg. If you 
do this by eg

sudo chown -R me.mygroup $CCP4

Then install.sh should work for arp/warp

Package type installation for arp/warp is also possible technically, and it can 
be made available in the next release if it is agreed between developers that 
from now we will support system-specific installations and not only an 
all-in-one package as till now. 

A. 

Sent from my iPad

On 28 Jul 2011, at 10:06, Saul Hazledine s.hazled...@embl-hamburg.de wrote:

 Hello,
  My reply is in the text below:
 
 On Jul 28, 2011, at 6:00 AM, ccp4 wrote:
 
 A plea from West Australia too.
 I was sitting with someone yesterday who was trying to install it on a Mac
 , and finding it a nightmare. 
 
 We're working on improving this. I believe the main issue is that CCP4 has 
 become more user friendly and installs from a DMG, while the ARP/waRP 7.1 
 install is still showing its Unix command line roots. 
 
 He finally got it set up as a local installation, whereupon it promtly
 failed. 
 
 We use Macs a lot here with few problems  (and various versions of CCP4) so 
 my first suspicion is that this might be an install problem.
 
 The message said See refmac-last.log but that told us nothing, and indeed
 refmac seemed to have worked..
 
 
 Would it be possible to send me the install.log that is created in the 
 ARP/wARP install directory? Also, the refmac-last.log that will be created in 
 the directory where ARP/wARP was working?
 
 Its probably best if the remaining communication is done by direct email.
 
 I'm sorry for the trouble that you are having.  I hope we can fix the problem 
 and prevent it happening to others in future.
 
 Saul Hazledine


Re: [ccp4bb] Fab:antigen complex crystallization!!!

2011-07-28 Thread Patrick Shaw Stewart
Hi Ivan

Did you use microseeding with *random *solutions?

If not see the following paper by Obmolova and Co about exactly this,
microseeding with Fab complexes,
http://journals.iucr.org/d/issues/2010/08/00/bw5361/bw5361.pdf

For more subtle variations in using microseeding with complexes see
http://pubs.acs.org/doi/abs/10.1021/cg2001442

Good luck

Patrick



On Thu, Jul 28, 2011 at 4:41 AM, xaravich ivan xaravich.i...@gmail.com
wrote:
 Hi everyone,
 I have been trying to crystallize Fab:antigen complex( 50kda:90kDa)
complex
 and initially got needle clusters which after microseeding gave me single
 crystals but they are very small and I could not repeat the results. I
have
 been using HEPES buffer at pH 6.8 to do the final SEC purification step of
 the complex before setting trays.
 I was wondering whether there are some other buffers (that one could
suggest
 eg tris-hcl etc) which have given decent positive results when
crystallizing
 Fab complexes.Though I have gone through individual papers (case by case)
to
 get some idea, It would be great if anyone could direct me to a
 comprehensive literature towards studying the crystatllization conditions
of
 Fab complexes.
  Equally, people who have considerable experience could suggest a list of
 must do steps for such problems which have routinely been practiced in
their
 lab

 Also what is a good storage condition for the excess complex that you want
 to use later?
 I would really appreciate any suggestion,help, direction.
 Thanks
 ivan



-- 
 patr...@douglas.co.ukDouglas Instruments Ltd.
 DouglasHouse, EastGarston, Hungerford, Berkshire, RG177HD, UK
 Directors: Peter Baldock, Patrick Shaw Stewart

 http://www.douglas.co.uk
 Tel: 44 (0) 148-864-9090US toll-free 1-877-225-2034
 Regd. England 2177994, VAT Reg. GB 480 7371 36


Re: [ccp4bb] Fab:antigen complex crystallization!!!

2011-07-28 Thread Alexandre Wohlkonig
Hi Ivan,

Here is another example of a method to crystallize antibody/antigene
complexes.
It uses a limited proteolysis step to generate crystals of poor quality,
which are then used as seeds for an MMS screening...

http://www.ncbi.nlm.nih.gov/pubmed/21536542

Good luck,

Alex


2011/7/28 xaravich ivan xaravich.i...@gmail.com

 Hi everyone,
 I have been trying to crystallize Fab:antigen complex( 50kda:90kDa) complex
 and initially got needle clusters which after microseeding gave me single
 crystals but they are very small and I could not repeat the results. I have
 been using HEPES buffer at pH 6.8 to do the final SEC purification step of
 the complex before setting trays.
 I was wondering whether there are some other buffers (that one could
 suggest eg tris-hcl etc) which have given decent positive results when
 crystallizing Fab complexes.Though I have gone through individual papers
 (case by case) to get some idea, It would be great if anyone could direct me
 to a comprehensive literature towards studying the crystatllization
 conditions of Fab complexes.
  Equally, people who have considerable experience could suggest a list of
 must do steps for such problems which have routinely been practiced in their
 lab


 Also what is a good storage condition for the excess complex that you want
 to use later?

 I would really appreciate any suggestion,help, direction.

 Thanks
 ivan



Re: [ccp4bb] Fab:antigen complex crystallization!!!

2011-07-28 Thread Ed Pozharski
On Thu, 2011-07-28 at 05:07 +0100, Sean Seaver wrote:
 Spoiler - Fabs like ammonium sulfate.

Not really - in my hands the ammonium sulfate was one hit out of 7.

While Ivan's question is about Fab complexes with protein antigen, I
think it brings up a more general question of protein class-dependent
crystallization bias.  While some general trends exist for classes of
biopolymers (e.g. MPD is number one precipitant for DNA; protein:DNA
complexes tend to crystallize in PEG-based conditions), a general idea
of assigning a preferred precipitant to a protein class is, imho,
pointless.  Fabs are a good example - one would think that with half of
the protein more or less the same in all instances some general trends
should exist.  And perhaps they do, as this 

http://scripts.iucr.org/cgi-bin/paper?S0907444999016224

seems to suggest.  But alas, Fab crystallization conditions, once you
look into it, appear to be just as diverse as the same for proteins in
general.  Crystallization conditions may change radically upon point
mutation, so why would one expect that a class of proteins sharing some
50% identity will show unusual love for PEG, ammonium sulfate, sodium
malonate or any other miracle precipitant?

Consider this.  Thanks to great engineering at the Douglas Instruments,
we can routinely set up ~1000 drops for a given protein.  If one of them
shows a crystalline shower, we celebrate.  To me, the fact that we try
wrong crystallization conditions 99.9% of the time, proves that any
attempt to predict crystallization conditions beyond vague things like
keep pH close to protein pI, sodium malonate is cool, PEG and
ammonium sulfate are two most successful precipitants in history of
protein crystallography, etc., is futile.  Time wasted on looking into
what is the most common precipitant for a particular class of proteins
is better spent on setting up more trays.

Cheers,

Ed.

-- 
Oh, suddenly throwing a giraffe into a volcano to make water is crazy?
Julian, King of Lemurs


[ccp4bb] research paper

2011-07-28 Thread Jung-Hoon Lee
Dear all,

I would appreciate it if anyone could provide me with a copy of this research 
paper. Thank you very much.

A. D'Arcy, F. Villarda, M.Marsh An automated microseed matrix-screening method 
for protein crystallizationActa Cryst D63 (2007), 550-554.

John





Re: [ccp4bb] research paper

2011-07-28 Thread Ed Pozharski
On Thu, 2011-07-28 at 14:35 +, Jung-Hoon Lee wrote:
 Acta Cryst D63 (2007), 550-554.

I can't believe Cornell has no access to Acta D.

-- 
Hurry up before we all come back to our senses!
   Julian, King of Lemurs


Re: [ccp4bb] research paper

2011-07-28 Thread Frances C. Bernstein

The article is available for purchase for $40.  Journals
cannot survive without funding which can come from many
sources - subscriptions, author payment to make the
article open-access, etc.  But asking someone to provide
a 'free' copy without Acta's permission is tantamount to
theft.

Frances Bernstein

=
Bernstein + Sons
*   *   Information Systems Consultants
5 Brewster Lane, Bellport, NY 11713-2803
*   * ***
 *Frances C. Bernstein
  *   ***  f...@bernstein-plus-sons.com
 *** *
  *   *** 1-631-286-1339FAX: 1-631-286-1999
=

On Thu, 28 Jul 2011, Ed Pozharski wrote:


On Thu, 2011-07-28 at 14:35 +, Jung-Hoon Lee wrote:

Acta Cryst D63 (2007), 550-554.


I can't believe Cornell has no access to Acta D.

--
Hurry up before we all come back to our senses!
  Julian, King of Lemurs



[ccp4bb] Position available: X-ray FEL Crystallography

2011-07-28 Thread Thomas White
http://www.desy.de/v2/docs/1310651114-e.pdf

DESY, Hamburg location, is seeking a Senior Scientist or Postdoc (m/f)
to conduct research in the area of X-ray FEL Crystallography.

DESY is one of the world's leading centres for the investigation of the
structure of matter. DESY develops,runs and uses accelerators and
detectors for photon science and particle physics.

The Center for Free-Electron Laser Science (CFEL) is a jointly operated
research cooperation between DESY, Max Planck Society and the
University of Hamburg. DESY supports three CFEL divisions with leaders
jointly appointed with the University of Hamburg. For a joint EU
Project with the European XFEL, the Coherent Imaging Division offers
the following position. The European X-Ray Free Electron Laser Facility
(XFEL) is a multi-national non-profit company. It will make available
X-rays of unique quality for studies in physics, chemistry, life
sciences, materials research and others. Located in the Hamburg area,
Germany, it will comprise scientific instruments for a wide range of
experimental techniques. Construction of the European XFEL is underway,
its commissioning is scheduled for 2015.

The position

* Join a team from CFEL and XFEL to design and implement specific
algorithms for diffraction analysis and image processing

* Development of methods and software to analyse the large amounts of
data generated by XFELs

* Develop new algorithms for parameterized profile fitting; integrate,
optimise and test code on parallel computers and GPUs; and develop
advanced user interfaces

Requirements

* Ph. D. in Physics
* Good knowledge of crystallographic theory and programming background
* Demonstrated experience with large datasets, broad collaborations,
and programming on distributed systems
* Experience in the theory of matter/X-ray interactions is desirable
* Ability to work in teams and sound communication

For further information please contact Henry Chapman, +4940 8998-4155,
henry.chap...@cfel.de or Adrian Mancuso, +4940 8998-2512,
adrian.manc...@xfel.eu

The position is limited to 1.5 years for DESY and with prolongation to
1.5 years within the XFEL GmbH Salary and benefits are commensurate
with those of public service organisations in Germany.  DESY operates
flexible work schemes. Handicapped persons will be given preference to
other equally qualified applicants. DESY is an equal opportunity,
affirmative action employer and encourages applications from women.
There is an English-speaking Kindergarten on the DESY site.

Please send your application quoting the reference code 119/2011, by
post or e-mail to:
Deutsches Elektronen-Synchrotron DESY
Human Resources Department | Reference code: 119/2011
Notkestraße 85 | 22607 Hamburg | Germany
Phone: +49 40 8998-1589
E-Mail: personal.abteil...@desy.de
Deadline for applications: 31. August 2011
www.desy.de


Re: [ccp4bb] Fab:antigen complex crystallization!!!

2011-07-28 Thread Patrick Shaw Stewart
Ed (and Ivan)

Peter Sun and colleagues published two papers where they show that
crystallization conditions for protein-protein complexes are strongly
biased towards PEG-based rather than high-salt or
organic-solvent-based conditions. This includes antibody-antigen
complexes.

http://www.ncbi.nlm.nih.gov/pubmed/16699187
http://scripts.iucr.org/cgi-bin/paper?do0016

I have heard anecdotally that the same is true of protein-peptide and
protein-small molecule complexes, although I don't know of any
systematic study.

Can anyone shed light on this?

I guess we can look in the Marseilles database

Best wishes to all

Patrick



On Thu, Jul 28, 2011 at 2:32 PM, Ed Pozharski epozh...@umaryland.edu wrote:

 On Thu, 2011-07-28 at 05:07 +0100, Sean Seaver wrote:
  Spoiler - Fabs like ammonium sulfate.

 Not really - in my hands the ammonium sulfate was one hit out of 7.

 While Ivan's question is about Fab complexes with protein antigen, I
 think it brings up a more general question of protein class-dependent
 crystallization bias.  While some general trends exist for classes of
 biopolymers (e.g. MPD is number one precipitant for DNA; protein:DNA
 complexes tend to crystallize in PEG-based conditions), a general idea
 of assigning a preferred precipitant to a protein class is, imho,
 pointless.  Fabs are a good example - one would think that with half of
 the protein more or less the same in all instances some general trends
 should exist.  And perhaps they do, as this

 http://scripts.iucr.org/cgi-bin/paper?S0907444999016224

 seems to suggest.  But alas, Fab crystallization conditions, once you
 look into it, appear to be just as diverse as the same for proteins in
 general.  Crystallization conditions may change radically upon point
 mutation, so why would one expect that a class of proteins sharing some
 50% identity will show unusual love for PEG, ammonium sulfate, sodium
 malonate or any other miracle precipitant?

 Consider this.  Thanks to great engineering at the Douglas Instruments,
 we can routinely set up ~1000 drops for a given protein.  If one of them
 shows a crystalline shower, we celebrate.  To me, the fact that we try
 wrong crystallization conditions 99.9% of the time, proves that any
 attempt to predict crystallization conditions beyond vague things like
 keep pH close to protein pI, sodium malonate is cool, PEG and
 ammonium sulfate are two most successful precipitants in history of
 protein crystallography, etc., is futile.  Time wasted on looking into
 what is the most common precipitant for a particular class of proteins
 is better spent on setting up more trays.

 Cheers,

 Ed.

 --
 Oh, suddenly throwing a giraffe into a volcano to make water is crazy?
     Julian, King of Lemurs



--
 patr...@douglas.co.uk    Douglas Instruments Ltd.
 DouglasHouse, EastGarston, Hungerford, Berkshire, RG177HD, UK
 Directors: Peter Baldock, Patrick Shaw Stewart

 http://www.douglas.co.uk
 Tel: 44 (0) 148-864-9090    US toll-free 1-877-225-2034
 Regd. England 2177994, VAT Reg. GB 480 7371 36


Re: [ccp4bb] OSX Lion

2011-07-28 Thread William G. Scott
On Jul 27, 2011, at 6:45 AM, Bosch, Juergen wrote:

  But Bill has updated his webpage

http://sage.ucsc.edu/~wgscott/xtal/wiki/index.php/Lion_upgrade_notes


[ccp4bb] Third issue of Computation Crystallography Newsletter - Volume 2, Number 2

2011-07-28 Thread Nigel Moriarty
Dear Colleagues,

I am pleased to announce the publication of the third issue of the
Computational Crystallography Newsletter:

   http://www.phenix-online.org/newsletter/

A listing of the articles and short communications is given below.
Please note that the newsletter accepts articles of a general nature
of interest to all crystallographers. Please send any articles to me
at
nwmoria...@lbl.gov noting that there is a Word Template on the website
to streamline production.

Articles


Improved target weight optimization in phenix.refine
Mite-y lysozyme crystal and structure


Short communications


A lightweight, versatile framework for visualizing reciprocal-space data
An extremely fast spotfinder for real-time beamline applications
Hints for running phenix.mr_rosetta


Cheers
Nigel

-- 
Nigel W. Moriarty, PhD
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : nwmoria...@lbl.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov


Re: [ccp4bb] small lysozyme crystals?

2011-07-28 Thread Sanishvili, Ruslan
Hi James,

Not as many responses on lysozyme crystallization as I would have expected. Or 
may be people thought you were joking (were you?).
Anyhow, higher concentrations of lyso gives smaller crystals but if you let 
them grow on their own, you may get few huge ones instead. What worked for me 
was following streak-seeding:
An acupuncture needle of 5- to 10-μm diameter was loaded with microcrystals by 
plunging it into a large crystal. Excess seeds were washed off by passing the 
needle through the well solution. Then, the crystallization drops were seeded 
by streaking the needle through the drops. Twelve drops were seeded 
successively with a single needle-load to achieve gradual dilution of seeds, 
resulting in a varying number and size of crystals.  
Happy seeding!
N.

Ruslan Sanishvili (Nukri), Ph.D.

GM/CA-CAT
Biosciences Division, ANL
9700 S. Cass Ave.
Argonne, IL 60439

Tel: (630)252-0665
Fax: (630)252-0667
rsanishv...@anl.gov

-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of James 
Holton
Sent: Tuesday, July 26, 2011 12:56 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] small lysozyme crystals?

Does anyone out there have a protocol of growing HEWL crystals that are 
all 50-100 microns wide?  I gave this project to a summer student 
recently, thinking it would be easy, but it is turning out to be more 
difficult than I thought.  Keep getting sphereulites instead of small 
crystals.  Yes, I know you can smash a large lysozyme crystal with a 
hammer, but that is not exactly what I was going for.  What I was hoping 
for was a well-defined protocol for growing reference crystals that 
stay evenly illuminated in our x-ray beams as they rotate.  The beam is 
100 um wide.

I'm sure someone has done this before?

-James Holton
MAD Scientist


[ccp4bb] Postdoc position available

2011-07-28 Thread Marc Kvansakul
SUMMARY DESCRIPTION: Structural biology of virus-host interactions
 

The Kvansakul Laboratory is seeking a postdoctoral fellow to investigate
the structural basis of inhibition of programmed cell death during viral
infection (e.g. Kvansakul et al 2007 Mol. Cell 25: 933 ­ 942, Kvansakul et
al Cell Death Differ 2008 15: 1564 ­ 1571, Kvansakul et al 2010 PLoS
Pathogens Dec 23;6(12):e1001236). This position offers the opportunity to
work in a highly collaborative and stimulating environment. The Kvansakul
Lab is part of the recently established La Trobe Institute for Molecular
Sciences (LIMS) at La Trobe University, Melbourne, Australia. LIMS is a
multidisciplinary institute that brings together the Departments of
Biochemistry, Chemistry, Genetics and Pharmacy.


 
The successful candidate will have the opportunity to:

 
1.Express and purify viral and host proteins and their complexes
2.Investigate different host binding partners for viral effector
proteins and their affinities
3. Crystallize and determine the macromolecular structure of these
proteins and their complexes with ligands
 

START DATE: The position is available immediately for 2 years in the first
instance.
 

REQUIREMENTS:
Ph.D. in biochemistry, biophysics or structural biology. Experience with
expression of recombinant proteins in a variety of hosts (bacteria, yeast,
insects) and purification of proteins to a high degree of homogeneity are
required. Prior experience with protein crystallization and structure
determination is strongly desirable. Experience with biochemical assays
and analyzing protein-protein interactions is also highly desirable. For
more details see 
http://jobs.latrobe.edu.au/jobDetails.asp?sJobIDs=545338lWorkTypeID=lLoca
tionID=lCategoryID=stp=AWsLanguage=en
 

For informal enquiries please email m.kvansa...@latrobe.edu.au or come to
the IUCr 2011 in Madrid.
 

APPLICATION:
Closing date is September 11th. Please apply online at
http://jobs.latrobe.edu.au/jobDetails.asp?sJobIDs=545338lWorkTypeID=lLoca
tionID=lCategoryID=stp=AWsLanguage=en