[ccp4bb] Postdoctoral position in biochemistry with applications in bacteriology (Structure and Biogenesis of the pilus of Streptococcus pneumoniae) in Stockholm, Sweden

2007-09-03 Thread Adnane Achour
Dear group members, 
I would like to bring to the following opening to your attention:

ANNOUNCEMENT TITLE: Postdoctoral position in biochemistry with
applications in bacteriology (Structure and Biogenesis of the pilus of
Streptococcus pneumoniae) in Stockholm, Sweden
DEADLINE FOR APPLICATIONS: 25 October 2007
TYPE OF POSITION: Post-Doc
INSTITUTION/DEPARTMENT: Department of Bacteriology, Swedish Institute
for Infectious Disease Control, Solna, Sweden AND Center for Infectious
Medicine, Department of Medicine, Karolinska University Hospital in
Huddinge, Karolinska Institutet
CONTACT PERSON: Adnane Achour, Department of Microbiology, Tumor and
Cell Biology, Karolinska Institutet, S-171 77 Stockholm, Sweden. e-mail
address: [EMAIL PROTECTED], Phone: +46-8-5248 6232, Fax: +46-8-30 42
76, website: http://www.medhs.ki.se/cim/
DESCRIPTION/REQUIREMENTS: A postdoctoral position is available for an
enthusiastic individual for a period of two years within the laboratory
off Assoc. Prof. Adnane Achour at the Center for Infectious Medicine
(CIM), Karolinska Institutet and the adjacent laboratory of Assoc. Prof.
Birgitta Henriques-Normark and Prof. Staffan Normark at the Swedish
Institute for Infectious Disease Control (SMI) in Stockholm, Sweden. The
candidate should be a good team-player. She/he will be responsible for
the cloning, production and isolation of proteins that are involved in
the structure and the biogenesis of the pilus of Streptococcus
pneumoniae. The prime target of this project are sortases A-D as well as
the Rrg elements of the pilus. Site directed mutagenesis studies will be
combined with a wide array of biochemical and immunological assays, as
well as imaging, in order to assess the molecular mechanisms underlying
the biogenesis of the pilus. Potential determination of crystallizatio
n conditions as well as the determination and interpretation of
three-dimensional structures of several proteins that participate in
this process may be undertaken by the candidate, either alone or in
close collaboration with other members of the research groups.
APPLICATION PROCEDURE: The application should include a CV (including in
particular any experience relevant to the position announced) as well as
the names and contact details of 2 references. The applicants should
also submit a list of publications and submitted manuscripts.


begin:vcard
n:Achour;Adnane
fn:Adnane Achour
tel;fax:+46-8-30 42 76
tel;work:+46-8-5248 6232
url:http://www.medhs.ki.se/cim/medhs_eng.asp?Id=12&tabell=medhs_english
org:Center for Infectious Medicine;Department of Medicine, F59
adr:;;Karolinska University Hospital Huddinge;Stockholm;;141 86;Sweden
version:2.1
email;internet:[EMAIL PROTECTED]
title:Associate Professor
end:vcard



[ccp4bb] New validation program...

2007-09-03 Thread Kevin Cowtan

Hi!

I've just written a new validation program which validates the sequence 
of a coordinate model to detect register errors caused by extra or 
missing residues in the chain trace.


This was inspired by a recent message from the Richardsons, about 
something similar in molprobity (I think, I can't find it any more). I 
realised I already had all the code to do this in buccaneer. However, 
the approach to sequencing implemented in buccaneer is sufficiently 
different to anything used elsewhere that it should provide an 
independent check.


It may be run with phases from experimental phasing, or it can calculate 
its own phases using a side-chain-omit process. In this case it can be 
used after molecular replacement, or to validate structures in the PDB.


The software includes a GUI and auto-installer script, and is available 
for Linux/x86, Mac/x86 and Mac/ppc. You can download it from here:

http://www.ysbl.york.ac.uk/~cowtan/sequins/sequins.html
The installer will create a new task in the 'Validation and Depostition' 
menu, labelled 'Sequence validation'.


I've attached a screenshot of the GUI. Below is sample output, showing a 
case in which there is a 30 residue register shift in the model. Note 
the '+' and '-' in the modified sequence, and the warning message below.



 ###
 ###
 ###
 ### CCP4 6.0: csequins   version 0.0.1 : 29/08/07##
 ###
 User: cowtan  Run date:  3/ 9/2007 Run time: 11:44:05


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. 
D50, 760-763.

 as well as any specific reference in the program write-up.


Copyright 2007 Kevin Cowtan and University of York. All rights reserved.

Please reference:
 Cowtan K. (2006) Acta Cryst. D62, 1002-1011.


pdbin-ref   /home/cowtan/test/reference-1tqw.pdb
mtzin-ref   /home/cowtan/test/reference-1tqw.mtz
colin-ref-fo/*/*/[FP.F_sigF.F,FP.F_sigF.sigF]
colin-ref-hl/*/*/[FC.ABCD.A,FC.ABCD.B,FC.ABCD.C,FC.ABCD.D]
mtzin-wrk   modified.mtz
colin-wrk-fo/*/*/[FP,SIGFP]
pdbin-wrk   modified.pdb
correlation-mode



CHAIN: A
Original: 
MKTRADLFAFFDAHGVDHKTLDHPPVFRVEEGLEIKAAMPGGHTKNLFLKAKGQLWLISALGETTIDLKKLHHVIGSGRLASFGPQEMMLETLGVTPGSVTAFGLINDTEKRVRFVLDKALADSDPVNFHPLKNDATTAVSQAGLRRFLAALGVEPMIVDFAAMEVVG
Modified: 
??TRADLFAFFDAHGVDHKTLDHPPVFRVEEGLEIKAAMPGGHTKNLFLK+AKGQLWLISALGETTIDLKKLHHVIGSGRLASFGP-MMLETLGVTPGSVTAFGLINDTEKRVRFVLDKALADSDPVNFHPLKNDATTAVSQAGLRRFLAALGVEPMIVDFAAMEVV?

Confidence: 0.92

WARNING: The supplied data suggests a partial sequence register error.



Times: User:  36.9s System:0.1s Elapsed: 0:38
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[ccp4bb] Shelx_install_in_ccp4iv6.0.2

2007-09-03 Thread Xue-Yuan Pei
Dear All:
I am trying to install Shelx C/D/E/ into ccp4i(v6.0.2) using "system
administration" tool for task installation. It complains and said: This
may not be a valid ccp4i package.
How can I intall Shelx into CCP4i? Your help is highly appreciated
Regards
Xue yuan Pei, Ph.D
Department of Biochemistry
University of Cambridge
Cambridge CB2 1QA
U.K


[ccp4bb] Rfree and unaccounted density

2007-09-03 Thread Vineet Gaur
Hi all

i m solving a structure at 2.2 A using MIR. rt now my Rfree is 30.55% and
Rcryst is 28.51%. i have already carried out B factor refinement n water has
also been picked up to 2.3 sigma cut off. now i m not able to refine the
structure any further.

The protein has been purified directly from the source. At this pt of
refinement i m able to see lot of unaccounted densities, far bigger to b
accounted by water or sugar, as we don't have any information abt the
possible molecules that can interact with this protein.
.
is this unaccounted density be the reason why i m not able to refine the
strucure?

thanx in advance

Vineet Gaur


[ccp4bb] chromatofocusing

2007-09-03 Thread James Fraser
I'm forwarding this to the listserve for someone in my lab who is
having trouble sending to the list.  Replies to the list or directly
to Nat Echols ([EMAIL PROTECTED]) are greatly appreciated...

Not question about crystallography, but that's the ultimate goal:

Has anyone used a custom-made buffer for use with the PBE media sold by
GE?  I found a bottle of Pharmacia PBE 94 and would like to use it, but
if I did I would use it frequently and on a relatively large scale, so
I'd rather not pay for the (expensive and proprietary) Polybuffer.

Alternately, has anyone done something similar with DEAE/CM media?  I've
seen references to this (although I suspect the resolution won't be as
good), but not very good descriptions.

thanks,
Nat