Re: [ccp4bb] Format conversion of Shelx coordinate file

2010-08-31 Thread Tim Gruene
Hello Florian, you can read the .hat-file into coot and save it from there, changing the suggested file-extenstion from .ins to .pdb. In case coot crashes when it reads the .res-file, edit the file and make sure there is only one END-card. Maybe shelxpro would also work. Tim On Mon, Aug 30,

Re: [ccp4bb] Format conversion of Shelx coordinate file

2010-08-31 Thread Francois Berenger
Hi, What is the motto/slogan of coot? I read so often about it on ccp4bb. If there is not one yet, I propose: coot, the crystallographer's swiss knife :'D Regards, F. Tim Gruene wrote: Hello Florian, you can read the .hat-file into coot and save it from there, changing the suggested

[ccp4bb] AW: [ccp4bb] Format conversion of Shelx coordinate file

2010-08-31 Thread Stefan Gerhardt
Coot MacGyver -Ursprüngliche Nachricht- Von: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] Im Auftrag von Francois Berenger Gesendet: Dienstag, 31. August 2010 08:15 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] Format conversion of Shelx coordinate file Hi, What is the

[ccp4bb] Postdoctoral position in X-ray crystallography, Montpellier, France

2010-08-31 Thread Albane le Maire
Dear all, Please could you bring this advert to the attention of any potential candidates? With industrialization, the production of chemicals and their introduction into the environment has increased massively. Some of these compounds act as endocrine disrupting chemicals (EDCs) that cause

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Ed Pozharski
Unfortunately, some crystals don't diffract at all. You may want to try to 100% verify that it's protein either by SDS-PAGE or mass-spec (100x100x100 micron crystal could contain ~0.5mcg of protein, so you my need to use silver staining). If it is, I'd consider trying to get diffracting crystals

[ccp4bb] fail to install ccp4i task for arp warp

2010-08-31 Thread Jochen Kuper
Dear All, sorry to bother you with this but I just can't figure out what goes wrong ... I am running the latest version of snow leopard on a MBP unibody with the 64bit kernel. I have an up to date fink installation for native 64bit. With this I have installed ccp4 via fink. I have also

[ccp4bb] Crystallography Position at UCB, Slough, UK

2010-08-31 Thread Tom Ceska
Position Available: Protein Crystallography We have an opening for permanent position in the area of crystallography. The position is at the Slough, UK research hub of UCB, a leader in medicines for epilepsy and inflammatory disease. Applicants are expected to have experience in sub-cloning,

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Ed Pozharski
Well said. I've seen three cases by now when switching to a homologue from a different organism led to solving a structure (and way too many cases when crystals just did not diffract, either at all or well enough :). On Tue, 2010-08-31 at 18:48 +0300, Tommi Kajander wrote: Or might be worth

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Jacob Keller
I have to say that in my limited experience with membrane protein crystallization, these liquid crystal / spherulite type things are very common, and seldom turn into anything useful. Perhaps others on the list more experienced than I can corroborate or refute this. I just don't want this guy to

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Ed Pozharski
On Tue, 2010-08-31 at 11:57 -0500, Jacob Keller wrote: I just don't want this guy to get misled into perhaps wasting months/years on something not particularly promising. Trouble is, of course, that one never knows if a particular trick will work this time. We routinely get PEG/fluoride salt

[ccp4bb] Is the difference between mFo and Fo maps supposed to be very small?

2010-08-31 Thread Hailiang Zhang
Hi, I want to see how the mFo maps (NOT 2mFo-DFc) compare against Fo maps. In the SIGMAA documentation, it says WCMB is the figure of merit; however, I opened in coot with FP PHIC WCMB combination, and for lots of systems, I didn't see too much difference against FP PHIC maps. Is the difference

Re: [ccp4bb] Is the difference between mFo and Fo maps supposed to be very small?

2010-08-31 Thread Pavel Afonine
Hi Hailiang, m is typically determined per resolution bin using test reflections and it can range from 0 to 1, so the difference between corresponding mFo and Fo can range accordingly. You can read more on this, for example: Acta Cryst. A42 (1986) 140-149. Acta Cryst. (1995). A51, 880-887.

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Eric Larson
Hello Qiangmin, Here are links to a few web resources that have tips for membrane protein crystallization that may help with your optimization strategy: http://kb.psi-structuralgenomics.org/update/2009/06/full/th_psisgkb.2009.25.html

Re: [ccp4bb] Is the difference between mFo and Fo maps supposed to be very small?

2010-08-31 Thread Ed Pozharski
On Tue, 2010-08-31 at 13:15 -0400, Hailiang Zhang wrote: Is the difference between mFo and Fo maps supposed to be very small? For an essentially correct model, yes. The major advantage of (2mFo-DFc) maps is suppression of model bias, so if you don't see much difference then your model is very

Re: [ccp4bb] Is the difference between mFo and Fo maps supposed to be very small?

2010-08-31 Thread Hailiang Zhang
Actually I cut a small domain from the well-defined structure (just for a test). The missing part showed in 2mFo-DFc map but not in both mFo and Fo maps, and the mFo and Fo maps are so close so that I wonder whether figure of merit generated by SIGMAA helps or not in this situation... Best

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Parveen Goyal
Hi, The picture looks like detergent crystals, specially DDM crystals. I have same crystals in many conditions. With regards, Parveen

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Matthew Chu
Yea, Parveen has actually asked about this here a year ago and I found this discussion quite useful indeed: www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg11717.html and I think we all get tons of these crystals especially in conditions with PEGs. There are lots of things you can try and have

Re: [ccp4bb] Is the difference between mFo and Fo maps supposed to be very small?

2010-08-31 Thread Ed Pozharski
If I understand correctly, the only difference between mFo and Fo map will be weighting in different resolution shells according to figure-of-merit. While this will presumably downweigh the less reliable resolution shells, it will hardly make up for the heavy model bias. The reason you see the

Re: [ccp4bb] how to optimize crystallization of a membrane proteinf

2010-08-31 Thread Damon Colbert
I have had a lot of problems of my own with poorly diffracting (or not at all) membrane protein crystals. After a previous discussion here, I summarised the suggestions I got in this ccp4 user wiki; http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Improving_crystal_quality There