[ccp4bb] Open position: University Lecturer in Biochemistry (Structural bioinformatics) Abo Akademi University, Turku, Finland

2022-01-26 Thread Tiina Salminen
Dear all, We have an open position as a University Lecturer in Biochemistry (Structural bioinformatics) and you can find more information about the position and how to apply on the web-page: https://abo.rekrytointi.com/paikat/index.php?jid=489==A_RJ=3yytrx2g9osg44cwogw088c00gck084. The

Re: [ccp4bb] COOT FLEV error

2022-01-26 Thread Xavier Brazzolotto
This is probably a FLEV specific issue. Have you tried external software such as LigPlot+ or Schrodinger’s Maestro to see if they can better handle the modified residue ? > Le 27 janv. 2022 à 01:03, Sergio A. Sampieri a écrit : > > Greetings all, > > Sorry for the naive question, but I'm

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread Ginell, Stephan L.
Hi , 1) If you are collecting the data at the APS the samples frozen in propane can be legally shipped there (check APS web site for information) 2) The samples CANNOT be mounted using either the ACTOR or ALS Style auto mounter. But the samples can be shipped using either the Rigaku pucks or

Re: [ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread Guenter Fritz
Hi James, I think the issue with propane at at least some light sources is that it is flammable.  Makes shipping and safety more complicated. How hard would it be to let the propane melt off in a cryo gas stream at your home lab?  Then use tongs to transfer the pin into liquid N2 for

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread Guenter Fritz
Hi Joe, thanks. I have never used CF4. Good point and worth a try. Best, Guenter When using Xe derivatization for SAD phasing, we (mostly Jim Pflugrath) used carbon tetrafluoride. CF4 has a melting point of 89.5K, just four degrees warmer than propane and is not flammable. Joe Ferrara

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread Guenter Fritz
Hi Steve, Hi , 1) If you are collecting the data at the APS the samples frozen in propane can be legally shipped there (check APS web site for information) 2) The samples CANNOT be mounted using either the ACTOR or ALS Style auto mounter. But the samples can be shipped using either the

Re: [ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread James Holton
I think the issue with propane at at least some light sources is that it is flammable.  Makes shipping and safety more complicated. How hard would it be to let the propane melt off in a cryo gas stream at your home lab?  Then use tongs to transfer the pin into liquid N2 for handling as usual? 

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread Joseph Ferrara
When using Xe derivatization for SAD phasing, we (mostly Jim Pflugrath) used carbon tetrafluoride. CF4 has a melting point of 89.5K, just four degrees warmer than propane and is not flammable. Joe Ferrara -Original Message- From: CCP4 bulletin board On Behalf Of James Holton Sent:

Re: [ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread Dom Bellini - MRC LMB
Dear Guenter, Would the use of vials inside combi-pucks (https://www.mitegen.com/product/combipuck-system/) and some arrangements with your local contact at the other end, perhaps help with using propane remotely? BW, D On 26/01/2022 16:53, Guenter Fritz wrote: Dear all, we have some 

Re: [ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread Guenter Fritz
Dear Dom, thanks a lot. Yes, this might work sending a combipuck alongside with a good bottle for the local contact. I was wondering whether the grippers can handle a block of propane? Best wishes, guenter Dear Guenter, Would the use of vials inside combi-pucks

[ccp4bb] freezing in ethane / propane - unipucks ?

2022-01-26 Thread Guenter Fritz
Dear all, we have some  delicate crystals which might benefit from freezing in propane. In former times (when I was still travelling to the beamlines) we waited until the propane was solid in the vial and then let the propane thaw in the cryo stream at the beamline. But how can we  do this

[ccp4bb] COOT FLEV error

2022-01-26 Thread Sergio A. Sampieri
Greetings all, Sorry for the naive question, but I'm having problems trying to FLEV a modified residue in COOT. I have modeled a modified CYS into an structure following these steps: 1. Generate a SMILES string for L-cysteine bonded the modification. C1=CC=C(C=C1)C(=O)SCC(C(O)=O)N.