[ccp4bb]

2014-01-23 Thread venkatareddy dadireddy
Thank you all for your suggestions. I try various methods suggested and hope they work. Regards Venkat On Wed, Jan 22, 2014 at 11:44 PM, Roger Rowlett rrowl...@colgate.eduwrote: Thrombin cleavage of His-tags seems to work pretty well in our hands, which includes mostly undergraduates for

[ccp4bb] B-factor statistics around an ion

2014-01-23 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear all, could anyone suggest a way to get the average B-factor from a PDB-file of those atoms a specific ion binds to (e.g. as judged by header LINK records or a distance interval)? I would like to get this number for all K-ions from a set of

[ccp4bb] XDS Error message

2014-01-23 Thread saleem raza
Hi Does any one know how to fix this ERROR in xds. !!! ERROR !!! CANNOT READ X,Y-CORRECTIONS.cbf regards Saleem

Re: [ccp4bb] XDS Error message

2014-01-23 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Saleem, you need to run the XYCORR step at least once (by placing this word on the JOB card in XDS.INP). There is very good documentation about XDS available at Wolfgang Kabsch's web site http://xds.mpimf-heidelberg.mpg.de/ (and of course the

Re: [ccp4bb] Two P1 xtals with same xtal contacts give 2 different asymmetric units

2014-01-23 Thread Yong Wang
Gabriel, Could this be just different but equivalent way of defining the asu? Ignoring one of the two tetramers and just focusing on the one tetramer that looks different in your case, the following picture assumes objects ABCD form a tetramer and repeat themselves in P1. You can have one

Re: [ccp4bb] Intergrown crystals

2014-01-23 Thread Kris Tesh
If Paratone oil is too viscous, I recommend perfluoropolyether (PFPE).  A lot of small molecule groups use this because it reduces damage to the crystals. Kris F. Tesh, Ph. D. Department of Biology and Biochemistry University of Houston From: Kelly Daughtry

Re: [ccp4bb] XDS Error message

2014-01-23 Thread saleem raza
Dear Tim, Thanks for the help. It is working now. regards Saleem Date: Thu, 23 Jan 2014 16:40:52 +0100 From: t...@shelx.uni-ac.gwdg.de To: mysaleemr...@hotmail.com Subject: Re: [ccp4bb] XDS Error message -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Saleem, I agree with you

Re: [ccp4bb] B-factor statistics around an ion

2014-01-23 Thread Pavel Afonine
Hi Tim, a non-ccp4 solution (since you haven't gotten any suggestion yet).. 1) Get atom selection of atoms involved into ion coordination: phenix.metal_coordination model.pdb 2) Using atom selection from above extract portion of PDB that contains atoms in question: phenix.pdb_atom_selection