Re: [ccp4bb] Unknown electron density blob

2017-01-25 Thread Uma Gabale
Dear all,Thank you very much for your replies. It is a PEG, a "di"ethylene glycol to be precise, in most chains. Best regards,Uma. --Uma Gabale, PhDResearch AssociateMolecular and Cellular Biochemistry Indiana University Bloomington #yiv6125321912 #yiv6125321912 -- _filtered #yiv6125321912

[ccp4bb] explain "comfortable"

2017-01-25 Thread Bernhard Rupp
Hi Fellows, JPK has made a valid point by reminding me that my "statement about becoming "comfortable" with a particular level of conservatism/enthusiasm" made in the N14 paper seems like a very non-scientific standard. He is right. Let me explain: The difference between enthusiastic

Re: [ccp4bb] Bad density for chains

2017-01-25 Thread Phoebe A. Rice
Are you sure there really are 4 chains? 50% solvent may be average, but we've had crystals with closer to 80%. From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Pooja Kesari [pkesar...@gmail.com] Sent: Tuesday, January 24, 2017 10:42 PM To:

Re: [ccp4bb] Unknown electron density blob, pdb convention for partially ordered ligands

2017-01-25 Thread Robbie Joosten
Hi Tristan, There are PDB entries that have this, but this makes matters a bit more complicated in annotation. You have to define LINKs and leaving atoms. Consistency would be nice here, but that is lacking in these entries. Cheers, Robbie Sent from my Windows 10 phone Van: Tristan

Re: [ccp4bb] Unknown electron density blob, pdb convention for partially ordered ligands

2017-01-25 Thread Edward A. Berry
Uma's use of quotes around "di" suggests a related question about PDB convention. It was my (perhaps not very good) understanding that ligands should be identified by what is actually present in the crystal, and not by what can be modeled. For example endogenous ubiquinone is likely to be UQ50

[ccp4bb] PhD Presidential fellowship to study the Structure and function of CRISPR systems

2017-01-25 Thread Ryan Jackson
The Jackson Lab (http://www.chem.usu.edu/people/faculty/ryan-jackson) at Utah State University seeks a qualified graduate for a 2017 Presidential Doctoral Research Fellow position (http://rgs.usu.edu/pdrf/) with a living stipend of $30,000 to study the structure and function of newly discovered

Re: [ccp4bb] Bad density for chains

2017-01-25 Thread Pooja Kesari
Dear All, Thank you all for reply. We have checked the data for twinning. Our protein is 360 residues around 40 kDa protein. We have tried TLS refinement. chain A and B don't superimpose well with chain C and D. (A and B chains also share slight difference ) Since we don't have proper density for

Re: [ccp4bb] Unknown electron density blob, pdb convention for partially ordered ligands

2017-01-25 Thread Tristan Croll
I've often wondered about PEG (and, I guess, other synthetic polymers): wouldn't it just be better to define the monomer, and then model a chain of however many monomers you need? T Tristan Croll Research Fellow Cambridge Institute for Medical Research University of Cambridge CB2 0XY