Re: [ccp4bb] Fun Question - Is multiple isomorphous replacement an obsolete technique?

2012-06-05 Thread Ethan Merritt
On Tuesday, 05 June 2012, Stefan Gajewski wrote: > Hey! > > I was just wondering, do you know of any recent (~10y) publication that > presented a structure solution solely based on MIR? Without the use of any > anomalous signal of some sort? A text search for "MIR" returns 1377 PDB structures ove

[ccp4bb] Fun Question - Is multiple isomorphous replacement an obsolete technique?

2012-06-05 Thread Stefan Gajewski
Hey! I was just wondering, do you know of any recent (~10y) publication that presented a structure solution solely based on MIR? Without the use of any anomalous signal of some sort? When was the last time you saw a structure that was solved without the use of anomalous signal or homology model?

[ccp4bb] difference between PEG 4000 and polyacrylate 5100

2012-06-05 Thread Jerry McCully
Dear ALL; Both PEG and polyacrylate are polymers. Although their formulations are different, Could they be exchangeable in crystallization conditions? Thanks a lot, Jerry McCully

Re: [ccp4bb] CME

2012-06-05 Thread Ed Pozharski
On Tue, 2012-06-05 at 15:26 +0530, Faisal Tarique wrote: > how to proceed with submission, can i show it as a modified residue > CME or cys in disulfide bond with bme You can do either. One could potentially argue that cys+bme is more appropriate since the protein presumably had cysteine which wa

[ccp4bb]

2012-06-05 Thread Herman . Schreuder
In my experience, occupancies and B-factors are correlated for small molecules, e.g. waters and here I keep the occupancy at 1.00 and only refine B-factors. However, for larger ligands e.g. Cl-, Zn2+ etc. often a shell of red difference density around the ion indicates to me that occupancies and

[ccp4bb] CME

2012-06-05 Thread Faisal Tarique
Dear All, I have one query while fitting residues into the density i came across the cysteine residue which as per me is fitting nicely as Cys in disulfide bond with beta mercaptoethanol, so from coot i have taken CME which is infact cysteine plus bme, my query is how to proceed with submission,

Re: [ccp4bb] Fwd: Crystallographic Software Fayre (ECM27, Bergen)

2012-06-05 Thread Harry Powell
Dear all The deadlines below have been extended to 15th June. Note that, since the deadline for abstracts is still open, there should still be the opportunity of having your work chosen to be an oral presentation (three of the five talks in MS are chosen from the abstracts). The lists of