Re: [ccp4bb] changes in small sections of secondary structure

2013-10-18 Thread krish
Hi Mahesh, If you have made these screen shots using pymol, then you really need to be careful before you jump to conclude anything from these secondary structural changes (Matt already mentioned it). Assign secondary structures using DSSP or see the secondary structure restraints in the structure

Re: [ccp4bb] changes in small sections of secondary structure

2013-10-18 Thread Matthew Franklin
Dear Mahesh - I can't comment on the energy changes for the protein, but I can say that the changes you've highlighted are not really due to alterations of the protein, but rather inconsistency in assignment of secondary structure. If you look closely at the areas you've highlighted, you wil

[ccp4bb] Rigaku Crystallization Webinar: 8am PST, November 12th, 2013, Dr. José A. Gavira

2013-10-18 Thread Jian Xu
Dear Colleagues, I'm delighted to announce that Dr. Jose Gavira will give a scientific presentation in Rigaku Crystallization Webinars on November 12th, 2013, 8:00am Pacific Standard Time. The webinar is free to attend and all are welcome. You can register it through our web page, http://www.

[ccp4bb] AW: [ccp4bb] Molecular Replacement using low sequence identity templates

2013-10-18 Thread Herman . Schreuder
Dear Jan, There are a few things a would do in this case. The first is to check the processing to make sure the space group is really C2 and, although unlikely, not some other space group. The second thing would be to try to place the first component. From your email it is not clear to me whe

[ccp4bb] Molecular Replacement using low sequence identity templates

2013-10-18 Thread Jan Félix
Dear all, I have a question regarding Molecular Replacement using low sequence identity templates. I have a 2.7 Angstrom dataset of a heterodimeric protein-protein complex (space group C 1 2 1, no twinning detected using xtriage). For the first component homologs are available, but for the

[ccp4bb] AW: [ccp4bb] Triclinic solution for a dataset with pseudo-translational symmetry, possible pseudo-centering and possible pseudo-merohedral twinning. How to proceed?

2013-10-18 Thread Herman . Schreuder
Dear Stefan, The picture you give of your crystals is indeed quite messy. The first thing I would do is to sort all the information at hand and try to see what could be going on. Based on the (limited) information you give, I have to following comments: 1) Autoindexing suggests a tetrag

Re: [ccp4bb] Problematic PDBs

2013-10-18 Thread Bernhard Rupp
.and there is always the twilight collection and the gems shown in the associated paper: http://www.ruppweb.org/twilight/default.htm Best, BR From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Alessandro Nascimento Sent: Donnerstag, 17. Oktober 2013 23:22 To: CCP4BB@J