[ccp4bb] Anion binding sites in proteins

2008-07-10 Thread Albert Guskov
Dear all, can someone point me to something similar to Metal coordination sites in proteins (http://tanna.bch.ed.ac.uk), but describing anions (I'm mainly interested in chloride-binding sites)? Thank You, Albert -- Albert Guskov, Freie Universitaet Berlin Fachbereich Biologie, Chemie, Pharmazie

[ccp4bb] how to promote folding for an unfolded protein

2008-07-10 Thread Jenny
Dear CCP4 community, Sorry for this off-topic protein purification problem.I'm trying to purify an immunoglobulin-like beta sheet protein with a c-terminus HIS construct. The protein expressed both in the supernat and pellet ( majority ). I purified the supernat and after run gel filtration,

Re: [ccp4bb] Anion binding sites in proteins

2008-07-10 Thread Jacob Keller
I have been interested in this topic as well, so could any responses that are not also addressed to the BB be sent to me as well? Thanks very much, Jacob Keller *** Jacob Pearson Keller Northwestern University Medical Scientist Training Program Dallos

Re: [ccp4bb] how to promote folding for an unfolded protein

2008-07-10 Thread Clemens Grimm
Hi Jenny, there are probably as many 'folding enhancers' as there are crystallization additives. Arginine might only be the most popular, followed by things like proline and other amino acids. The mode of action of those can partly be explained by their mild chaotropic properties. For a

[ccp4bb] Refmac scale questions

2008-07-10 Thread Borhani, David
Hi, my refinement (Refmac_5.2.0019) in sp. grp. C2 with 2 TLS groups, bulk solvent, and overall anisotropic scaling gives the following output: - Overall : scale =1.143, B = 0.148 Babinets bulk

Re: [ccp4bb] Anion binding sites in proteins

2008-07-10 Thread Kornelius Zeth
There is a number of 'defined' anions known from structures of halorhodopsin and the cores of coiled-coil proteins often show them as well. -- Kornelius Zeth Max Planck Institute for Developmental Biology Dept. Protein Evolution Spemannstr. 35

Re: [ccp4bb] Anion binding sites in proteins

2008-07-10 Thread Raji Edayathumangalam
Hi Albert, Please refer to the following paper (and references therein) for a description of the four chloride located in the nucleosome structure.. 1: Davey CA, Sargent DF, Luger K, Maeder AW, Richmond TJ. Solvent mediated interactions in the structure of the nucleosome core particle at 1.9 a

Re: [ccp4bb] how to promote folding for an unfolded protein

2008-07-10 Thread Ashley Buckle
Jenny have a look at our REFOLD database: http://refold.med.monash.edu.au you can find several refolding protocols in there for immunoglobulin folds (you can blast your sequence against the refold database) cheers ashley -- Ashley Buckle Ph.D NHMRC Senior Research Fellow The Department of

Re: [ccp4bb] Anion binding sites in proteins

2008-07-10 Thread Manfred S. Weiss
I should like to point out here that almost ANY protein will pick up something from the crystallization solution (cations, anions). Unfortunately, in the majority of cases these partially occupied ions will not be seen or will be mistakenly interpreted as water molecules. One way to 'see' such

Re: [ccp4bb] Hardware problem: nVidia NV41 [Quadro FX 3450/4000 SDI] on Redhat EL 5 (needed for stereo viewing)

2008-07-10 Thread Donnie Berkholz
On 16:05 Thu 10 Jul , Christian Rausch (Biol. Chemie) wrote: We have tried the following installation scripts from Nvidia: NVIDIA-Linux-x86-173.14.05-pkg1.run NVIDIA-Linux-x86-173.14.09-pkg1.run And tried it with the following kernels: vmlinuz-2.6.18-92.1.1.el5PAE

Re: [ccp4bb] histidine modification

2008-07-10 Thread artem
Hi, 1. the same image in jpg or png format occupies a mere 180 - 300 kB. It's nice to be considerate of other people's bandwidth especially since you're asking for help 2. how do you know it's a covalent modification? Anything on MS to confirm that? 3. this reminds me of

Re: [ccp4bb] how to promote folding for an unfolded protein

2008-07-10 Thread Guenter Fritz
Hi Jenny, check on non-reducing SDS PAGE whether your disulfide bond (I assume there is one) is correct, i.e. you have monomeric protein on SDS-PAGE. If there are disulfide linked oligomers, try expression in Origami strain at lower temperature, e.g. 25 deg C.Another possibility is to direct

[ccp4bb] pdbset bug - seqres record

2008-07-10 Thread Ed Pozharski
There is a bug in pdbset: when you output a sequence (using SEQU PDB), the residue names are shifted to the left by one position. Here is how it looks like: In PDB-file downloaded from the PDB: SEQRES 5 A 171 ALA THR CYS ... PDBSET output: SEQRES 5 A 171 ALA THR CYS ... I

Re: [ccp4bb] pdbset bug - seqres record

2008-07-10 Thread Dunten, Pete W.
Is this just a consequence of old/new conventions for the SEQRES records? If so, send a feature request to ccp4, asking for an option to be added to pdbset. Pete -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Ed Pozharski Sent: Thursday, July 10,

[ccp4bb] ArpWarp error

2008-07-10 Thread Mark Del Campo
I'm running flexWarp on a MacBook Pro and on a Linux box. The program goes through several cycles and then gives the following errors when trying to improve an MR solution: If I start from the PDB file as is ERROR Exception class : 'IndexError' Message : 'no args' BackTrace (limited to level