[ccp4bb] Post-doctoral position available June 1st at UMDNJ

2009-05-22 Thread Narayanan Ramasubbu
A postdoc position is immediately available in my laboratory at the Oral Biology Department, UMDNJ. The post-doc will work on the elucidation of structure of enzymes involved in modifying A. actinomycetemconitans biofilms. Crystals of two such enzymes are available. Experience in expression and

[ccp4bb] postdoc position available

2009-05-22 Thread Wen Jiang
A postdoc position is immediately available in the Jiang laboratory (http://jiang.bio.purdue.edu) at the Markey Center of Structural Biology and Department of Biological Sciences, Purdue University, West Lafayette, Indiana, USA. Our research focuses on structural studies of large macromolecular com

Re: [ccp4bb] MAD phasing

2009-05-22 Thread Ho-Leung Ng
You need to try alternative space groups, such as P6522, which has the same extinctions and merging statistics as P6122. What do the maps look like coming out of SOLVE/RESOLVE? Ho UC Berkeley

Re: [ccp4bb] [offtopic?] putting b-factors from two pdbs on the same scale and interpretation

2009-05-22 Thread Donnie Berkholz
On 12:10 Fri 22 May , Francis E Reyes wrote: > Maybe this is more of a statistics/normalization question, but say you > have the same molecule crystallized in two different states. How would > you put their refined b-factors (directly from the pdb) on the same > scale and say compare the b-f

Re: [ccp4bb] [offtopic?] putting b-factors from two pdbs on the same scale and interpretation

2009-05-22 Thread Ethan Merritt
On Friday 22 May 2009 11:10:16 Francis E Reyes wrote: > Hi all, > > Maybe this is more of a statistics/normalization question, but say you > have the same molecule crystallized in two different states. How would > you put their refined b-factors (directly from the pdb) on the same > scale an

[ccp4bb] [offtopic?] putting b-factors from two pdbs on the same scale and interpretation

2009-05-22 Thread Francis E Reyes
Hi all, Maybe this is more of a statistics/normalization question, but say you have the same molecule crystallized in two different states. How would you put their refined b-factors (directly from the pdb) on the same scale and say compare the b-factors of residues in the binding pocket?

[ccp4bb] issues with TLS refinement resolved

2009-05-22 Thread Seema Mittal
Hi All, Thanks for all the help in fixing the refmac TLS refinement issue. The new refmac (5.5.0093) is working well so far. Best, Seema Mittal On May 22, 2009, at 8:56 AM, Ronan Keegan wrote: Hi Seema and Ben, Garib has produced a fix for the TLS problem and put the update on his re

Re: [ccp4bb] SCALEPACK2MTZ failed

2009-05-22 Thread Raja Dey
Dear Paul,Thanks. Now is running. Before in earlier version it was not required. Raja From: Paul Leonard To: Raja Dey Cc: ccp4bb@jiscmail.ac.uk Sent: Friday, 22 May, 2009 10:31:51 AM Subject: Re: [ccp4bb] SCALEPACK2MTZ failed Dear Raja, Where you have the

Re: [ccp4bb] SCALEPACK2MTZ failed

2009-05-22 Thread Paul Leonard
Dear Raja, Where you have the input option Use "dataset name" as identifier to append column labels. Change this to "user defined identifier" and put a name in the box below. I think Scalepack should then run ok after that. Paul > Dear Friends, > I got the following erro

Re: [ccp4bb] SCALEPACK2MTZ failed

2009-05-22 Thread Ronan Keegan
Dear Raja, This is a known bug in version 6.1.1. There is a fix for it available from the CCP4 problems pages. See item no. 7 in the following page: http://www.ccp4.ac.uk/problems.php#6.1.1-ccp4i You'll need to download "import_scaled.script" and replace the version that you have in: /sw/s

Re: [ccp4bb] phaser

2009-05-22 Thread Nathaniel Echols
On Thu, May 21, 2009 at 11:04 PM, Tim Gruene wrote: > this usually means that you have a second version of phaser installed, e.g. > from the phenix package. To find out, go to a terminal from which you would > start ccp4i and type 'which phaser'. My guess is that the answer to that > command does

[ccp4bb] SCALEPACK2MTZ failed

2009-05-22 Thread Raja Dey
Dear Friends, I got the following error while running SCALEPACK2MTZ in the latest version of CCP4 Program Suite 6.1.1 CCP4Interface 2.0.4 running on a macbook with intel core 2 duo. I also tried to run earlier SCALEPACK2MTZ job which was successfully finished before, but no

Re: [ccp4bb] Problem with Rfree and Rfac

2009-05-22 Thread Anastassis Perrakis
hi Sravanti - Something that is unclear from your message, is that if you used Phaser for a SAD phasing or molecular replacement. I assume that latter. Starting from molecular replacement models at 3.0 A is very tough. Unless the identity/similarity of the search model and expected model is ver

[ccp4bb] CCP4 Northern Protein Structure workshop 'Carla 2009'

2009-05-22 Thread Mads Gabrielsen
Hello all and apologies for the cross posting and to non-UK residents for the cluttering of their inboxes. Just to let you know that we will be holding the popular Northern universities CCP4-sponsored protein structure workshop again this September (see advert below). This year it will again be i

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-22 Thread Engin Ozkan
Here is a summary of responses to the thread I recently started on "phasing with se-met at low resolution": There were many suggestions. They can be grouped into two categories: 1. Aim for very high redundancy at one wavelength (peak) and watch out for radiation damage. Sacrificing resolution is