Re: [ccp4bb] Twinned data

2010-10-04 Thread Clayton, Gina Martyn
Hi there Thank you for the advice regarding my twin data (mostly sent off the board). Seems I didn't put enough info in the email sorry for that! The resolution is 2.6Ang. My first thought was that the crystal was a fragment of the full length protein. The crystals are undergoing mass spec

Re: [ccp4bb] Coot cannot read mtz or pdb files

2010-10-04 Thread Leiman Petr
Many thanks to everybody who quickly replied to my cry for help. It is a locale definition problem as the laptop in question is set up with the French Swiss locale. Cheers, Petr

Re: [ccp4bb] Coot cannot read mtz or pdb files

2010-10-04 Thread Thomas Womack
On 4 Oct 2010, at 11:15, Leiman Petr wrote: Dear all, Coot behaves in a very strange way on my student's MacBook (32bit) running MacOS X 10.6.4. Both versions of coot are affected - the precompiled Prof. Scott's one and the compiled from source. It cannot read in MTZ files (quote: This

Re: [ccp4bb] Coot cannot read mtz or pdb files

2010-10-04 Thread Chris Richardson
On 4 Oct 2010, at 11:15, Leiman Petr wrote: It cannot read in MTZ files (quote: This is not an mtz file). PDB files are garbled up on reading as well. Most (but not all) connections are broken. A screenshot is attached. Is the Mac set up with an unusual language, locale or set of formats? I

[ccp4bb] shape complementarity

2010-10-04 Thread Reiner Ribarics
Hello everybody, I recently tried to feed the shape complementarity program (sc) with GRASP surface files for visualisation. Sc is supposed to output modified surface files, again, in GRASP format. However, the program terminated without producing a file, or, sometimes, writing truncated ones.

Re: [ccp4bb] R factor R free struck

2010-10-04 Thread Ian Tickle
On Sun, Oct 3, 2010 at 6:34 PM, J. Preben Morth pr...@bioxray.au.dk wrote: hi remember to reindex your data to P21212 in case you used Phaser to search all alternative orthorhombic SG's and it found P22121 Preben Hi, re-indexing the data without also remembering to transform the

Re: [ccp4bb] mol rep help needed

2010-10-04 Thread Clemens Vonrhein
Hi David, On Fri, Oct 01, 2010 at 11:40:13AM -0400, David Roberts wrote: My question - finally - how can I run automolrep with one dimer fixed, looking for the location of the other 2 monomers (so basically I want to fix a dimer as part of my solution, and then search for the other 2

Re: [ccp4bb] R factor R free struck

2010-10-04 Thread Eleanor Dodson
Is that necessary? Eleanor J. Preben Morth wrote: hi remember to reindex your data to P21212 in case you used Phaser to search all alternative orthorhombic SG's and it found P22121 Preben On 03/10/2010, at 04.56, Jack Russel wrote: Hi all, I have collected a data at 2.9 Å and the solved

Re: [ccp4bb] Twinned data

2010-10-04 Thread Clayton, Gina Martyn
Hi Boaz thanks for the advice - Yes your suggestions are very useful thank you! I actually have not tried Phaser with the P4 data so I will give that a shot. Curiously Pointless selects P21 from P4 and P421/3 from P21... I tried MolRep in P1 but Phaser failed to find any solution

Re: [ccp4bb] R factor R free struck

2010-10-04 Thread J. Preben Morth
the reindexing have no effect on the R-factor, I did indeed mean to remember to transform the co-ordiantes according to the indexing :-) On 04/10/2010, at 11.27, Ian Tickle wrote: On Sun, Oct 3, 2010 at 6:34 PM, J. Preben Morth pr...@bioxray.au.dk wrote: hi remember to reindex your data to

[ccp4bb] How to detect the concentration of detergent?

2010-10-04 Thread yybbll
Dear all, I want to crystallize a symport transporter, which contains 12 transmembrane alpha-helices. We used Ni-resin column firstly, and then size exclusion. After size exclusion, only one peak, it is very nice. the final condition is 10 mM mes, 100 mM NaCl, 10 mM sucrose, 1 mM DTT, and

Re: [ccp4bb] Coot cannot read mtz or pdb files

2010-10-04 Thread Leiman Petr
Again, many thanks to all who responded. The simplest fix is to include this line in your .profile file: export LC_NUMERIC=C Cheers, Petr

Re: [ccp4bb] How to detect the concentration of detergent?

2010-10-04 Thread Van Den Berg, Bert
Hi YB, For membrane protein crystallization it is common practice (although not always necessary) to dialyze the protein after the final concentration step (against GF buffer). The problem with DDM is that dialysis is slow due to the low cmc, and in general it is advisable to finish the prep

Re: [ccp4bb] How to detect the concentration of detergent?

2010-10-04 Thread Murray, James W
Dear Y B Lin, Measuring detergent has been discussed before on this list - one way is to do thin-layer-chromatography against a set of standards. http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg12915.html A strategy for identification and quantification of detergents frequently used in

Re: [ccp4bb] How to detect the concentration of detergent?

2010-10-04 Thread Owen Pornillos
Could anybody tell me how to detect the concentration of detergent? From Butler et al. (2004) J Mol Biol 340: 797-808 The concentration of DDM was determined by a colorimetric assay that detects the sugar component of the detergent, which has given results identical with the standard

Re: [ccp4bb] Coot cannot read mtz or pdb files

2010-10-04 Thread Tim Gruene
Hello Petr, if you put this line into .profile, it affects all your programs, which might be unwanted (otherwise one would not have changed the locale in the first place). It would be better/ cleaner to put this line (actually without the 'export', just 'LC_NUMERIC=C' would be enough there) into

[ccp4bb] Postdoctoral Position Available

2010-10-04 Thread Richard Baxter
Dear All, A position is available for a postdoctoral fellow to pursue structural and functional studies of proteins involved in the innate immune response of Anopheles gambiae to malaria infection. The successful candidate will be part of a new research group combining biophysical techniques

[ccp4bb] Radiation damage with crystals containing metal centers (TaBr people chime in?)

2010-10-04 Thread Francis E Reyes
Hi all I'm reading a recent review by Elspeth Garman regarding radiation damage (Acta Cryst D) and in this she mentions two ideas regarding metal centers: [1] They (The metal complexes themselves) are quickly reduced [2] Their absorption causes localized heating in the crystal. (This

Re: [ccp4bb] Radiation damage with crystals containing metal centers (TaBr people chime in?)

2010-10-04 Thread Phil Evans
The radiation damage with Ta6Br12 collected on the absorption edge is very severe. There may be a case for avoiding the edge wavelength for this reason Phil On 4 Oct 2010, at 17:28, Francis E Reyes wrote: Hi all I'm reading a recent review by Elspeth Garman regarding radiation damage

Re: [ccp4bb] How to detect the concentration of detergent?

2010-10-04 Thread Philipp Ellinger
Hi YB, There is a nice new paper online, dealing with this subject: http://www.ncbi.nlm.nih.gov/pubmed/20850411 Cheers Phil Am 04.10.10 17:09 schrieb Owen Pornillos unter o...@scripps.edu: Could anybody tell me how to detect the concentration of detergent? From Butler et al. (2004) J Mol

Re: [ccp4bb] Radiation damage with crystals containing metal centers (TaBr people chime in?)

2010-10-04 Thread Dunten, Pete W.
Regarding backsoaking [2], This is one of those nice exercises for the reader! Try raddose calculations with versus without 1 mM heavy-atom compound in the solvent channels. Pete -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Francis E Reyes

Re: [ccp4bb] Radiation damage with crystals containing metal centers (TaBr people chime in?)

2010-10-04 Thread Poul Nissen
[1] the signal from Ta6Br12 is enormous and one will typically focus on low resolution (below 7 Å) so radiation sensitivity can be handled by a fairly low dose data collection We collected several data sets with Ta6Br12(2+) on the Na+,K+-ATPase (Morth JP et al. 2007) and found that although we

Re: [ccp4bb] Radiation damage with crystals containing metal centers (TaBr people chime in?)

2010-10-04 Thread Jacob Keller
- Original Message - From: Poul Nissen p...@mb.au.dk To: CCP4BB@JISCMAIL.AC.UK Sent: Monday, October 04, 2010 2:21 PM Subject: Re: [ccp4bb] Radiation damage with crystals containing metal centers (TaBr people chime in?) [1] the signal from Ta6Br12 is enormous and one will typically

Re: [ccp4bb] Radiation damage with crystals containing metal centers (TaBr people chime in?)

2010-10-04 Thread Poul Nissen
Two separate crystals, but very similar data collection strategies P On 04/10/2010, at 21.48, Jacob Keller wrote: - Original Message - From: Poul Nissen p...@mb.au.dk To: CCP4BB@JISCMAIL.AC.UK Sent: Monday, October 04, 2010 2:21 PM Subject: Re: [ccp4bb] Radiation damage with

Re: [ccp4bb] shape complementarity

2010-10-04 Thread Mike Lawrence
Hi Reiner I haven't seen this problem before; if you send me all the relevant files I will try to check it out. It may relate to the fact that the GRASP files were made with Chimera. sincerely Mike Lawrence Hello everybody, I recently tried to feed the shape complementarity program (sc)

Re: [ccp4bb] How to detect the concentration of detergent?

2010-10-04 Thread Ho Leung Ng
I like the phenol-sulfuric acid colorimetric assay (Anal Biochem. 2005 Jan 1;336(1):117-24). Easy, very linear, no special ingredients/equipment required. In agreement with their paper, I also found that DDM passes through the 100 kD concentrator membranes. Ho

[ccp4bb] Fwd: [ccp4bb] Summary: measure detergent concentration

2010-10-04 Thread weikai
Hi Folks, The paper Phil recommended looks very nice. Below is a summary when last time I asked people about this. Regards, Weikai Original Message Subject: [ccp4bb] Summary: measure detergent concentration Date: Wed, 28 Oct 2009 16:49:32 -0400 From: