Re: [ccp4bb] Problem with getting Rfree and Rf down

2012-01-26 Thread Eleanor Dodson
It is a bit of a mystery to me why two structures of supposedly similar resolution with equally acceptable maps can give very different r factors - one sticks in the low 20s and another gives a smug 17% .. I guess one could go back and analyse the model against the data and time.. Eleanor On

[ccp4bb] No diffraction

2012-01-26 Thread Theresa H. Hsu
Dear crystallographers I have a protein of 90 kDa forming dimers. Crystals formed with microbatch and vapor diffusion method in 24 hours but no diffraction at home source. Dissolved crystals was confirmed to be the protein with mass spec. Any suggestions to improve diffraction would be welcome.

Re: [ccp4bb] No diffraction

2012-01-26 Thread Katherine Sippel
Might I suggest consulting the CCP4 user community wiki on the topic: http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Improving_crystal_quality Good luck, Katherine On Thu, Jan 26, 2012 at 9:33 AM, Theresa H. Hsu wrote: > Dear crystallographers > > I have a protein of 90 kDa formi

Re: [ccp4bb] No diffraction

2012-01-26 Thread Poul Nissen
But first of all: try to add a synchrotron to the crystals Poul On 26/01/2012, at 16.48, Katherine Sippel wrote: > Might I suggest consulting the CCP4 user community wiki on the topic: > > http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Improving_crystal_quality > > Good luck, > >

Re: [ccp4bb] Introducing an ELN

2012-01-26 Thread Anastassis Perrakis
I think that all these points are interesting and valid. On Jan 25, 2012, at 10:37, Chris Morris wrote: Tassos reports: 1. None of the twenty test-users was satisfied with any of the two solutions - and each was annoyed for a different reason. This suggests that the choice of ELN is not the

Re: [ccp4bb] No diffraction

2012-01-26 Thread Edward Snell
And ambient if you were using cryo ... Edward Snell Ph.D. Assistant Prof. Department of Structural Biology, SUNY Buffalo, Senior Scientist, Hauptman-Woodward Medical Research Institute 700 Ellicott Street, Buffalo, NY 14203-1102 Phone: (716) 898 8631 Fax: (716) 898 8660 Skype: edd

Re: [ccp4bb] No diffraction

2012-01-26 Thread Francis E Reyes
Ditto to Poul's advice. I've had many many many cases where crystals diffract poorly (or not at all) on home sources only to show excellent diffraction at a synchrotron. (Whether or not a home source is properly calibrated is probably the biggest issue, but that's for another discussion).

Re: [ccp4bb] No diffraction

2012-01-26 Thread George Sheldrick
It depends a lot on which home source and which synchrotron, there are enormous differences. Goettingen is uniquely well placed because we can reach four synchrotrons in a few (3-7) hours by high speed train and in theory at least five more with a longer train journey, trains are very convenien

Re: [ccp4bb] No diffraction

2012-01-26 Thread Roger Rowlett
As other have/surely will suggest, by all means try RT collection to establish if your crystals really diffract OK, or if your cryo conditions are killing them. We have lots of experience in our lab getting "beamstop" diffraction with certain samples when subjecte

Re: [ccp4bb] No diffraction

2012-01-26 Thread Patrick Shaw Stewart
Theresa You should also try microseeding into *random screens *by making a seed stock with the crystals that you have, to use with both microbatch and vapor diffusion experiments. You will often pick up new and better conditions and you're more likely to get well-formed crystals right out of the

Re: [ccp4bb] Introducing an ELN

2012-01-26 Thread Phoebe Rice
As the proud owner of a carefully organized, highly annotated VMS backup tape (reel-to-reel, of course), my main concern is that paper is the only format that we'll be able to count on reading a decade (or more) from now. = Phoebe A. Rice Dept. of Biochemistry

Re: [ccp4bb] No diffraction

2012-01-26 Thread Kevin Jin
For crystallization: Your xtal may come out a little bit fast. If the condition contain alcohol, such as IPA, you may have to modify it. If you let people know the condition, it may be more helpful. Also, please check the purity of your protein. Kevin On Thu, Jan 26, 2012 at 7:33 AM, Theresa

Re: [ccp4bb] No diffraction

2012-01-26 Thread Kevin Jin
Maybe, you can adjust the ion strength of your condition. On Thu, Jan 26, 2012 at 8:32 AM, Kevin Jin wrote: > For crystallization: > > Your xtal may come out a little bit fast. If the condition contain > alcohol,  such as IPA, you may have to modify it. > > If you let people know the condition

[ccp4bb] Coot on an SGI

2012-01-26 Thread Clayton, Gina
Hi there we are trying to install Coot onto one of our old SGIs and so we installed Coot 0.0.33 (IRIX). However when starting Coot, such as in the Coot (install) directory, we get an error message stating thatlib "libgcc_s.so is required but can not be found. We have the sgi freeware gcc_lib

Re: [ccp4bb] Introducing an ELN

2012-01-26 Thread Dale Tronrud
Unless you have written on the paper using cursive script. Many schools in the US have stopped teaching longhand reading/writing so in a generation or two many paper records will be undecipherable to all but historians. My wife has some handwritten letters from ancestors written in German arou

Re: [ccp4bb] Introducing an ELN

2012-01-26 Thread Jacob Keller
Can't you get a plug-in for that? JPK On Thu, Jan 26, 2012 at 11:35 AM, Dale Tronrud wrote: >   Unless you have written on the paper using cursive script.  Many schools > in the US have stopped teaching longhand reading/writing so in a generation > or two many paper records will be undecipherabl

Re: [ccp4bb] Problem with getting Rfree and Rf down

2012-01-26 Thread James Holton
Merging in radiation damaged data can indeed raise R/Rfree because the structure factors no longer correspond to the native structure. Rather, they are an intensity-average of the native and damaged structures, and that can be hard to fit to a coordinate model! How much damage is too much?

[ccp4bb] Job Posting on Behalf of Albert Einstein College of Medicine

2012-01-26 Thread Meghan jobtarget
*POST-DOCTORAL POSITION* Three post-doctoral positions are available to join a multi-disciplinary research group investigating the regulation of biological motors activity from the cellular to the molecular level. The group is formed by the laboratories of Gary Gerfen, Ao Ma, David Sharp and Her

[ccp4bb] CCP4 win dev

2012-01-26 Thread Bernhard Rupp (Hofkristallrat a.D.)
Dear ccp4 win developers: I would like to compile Ian's EDSTAT program using my windows7/64 ifort compiler. I have a few questions re library linking and win-compliable source distribution - wonder who I may kindly harass off-board. Best regards, BR ---

Re: [ccp4bb] Coot on an SGI

2012-01-26 Thread William G. Scott
Dear Gina: I think Coot 0.0.33 originated sometime early in the Nixon administration, and I finally parted with my SGIs a few years ago, so am not in a good position to advise. I seem vaguely to remember some non-canonical naming of the files. What happens if you make a symbolic link from the

[ccp4bb] Iphone app to display protein models

2012-01-26 Thread Shiva Bhowmik
Dear All, I was wondering if there is any IOS5 based app to display protein models, which are not in public database, on Iphone. There is an app called Molecules for displaying models but that utilizes coordinates from RCSB and pubchem. Thanks, Shiva

Re: [ccp4bb] Iphone app to display protein models

2012-01-26 Thread Francois Berenger
On 01/27/2012 04:00 PM, Shiva Bhowmik wrote: Dear All, I was wondering if there is any IOS5 based app to display protein models, which are not in public database, on Iphone. Better than this: Jolecule from Dr. Bosco Ho. "Jolecule works in HTML5 browsers such as Chrome and Safari, mostly in F