Re: [ccp4bb] Sulfate ion on 2-fold axis

Using SHELXL, restraints can be applied to symmetry equivalent atoms so one can easily restrain the sulphate to be a regular tetrahedron by restraining the S-O distances to be equal and the O1..O2, O1'..O2 etc. distances to be equal (with or without target values). For details of a similar exam

[ccp4bb] Multiple Signature Motifs in a single protein

Dear sir, I'm in something of a fix as I need to compile a dataset of proteins to test my work. The dataset would need to consist of proteins that contain multiple signature motifs. I am having difficulty finding any with more than two signature motifs. I would be grateful if you can let m

Re: [ccp4bb] scale data with multiple MTZ files

There is an (possibly) easier way now in pre-release 1) Download & install (manually) from the CCP4 pre-release site the program "pointless" and the ccp4i task interface 2) Use the "Find or Match Laue Group" option (under "Data Reduction") to open the interface window to the program Pointle

Re: [ccp4bb] scale data with multiple MTZ files

Hi There's a way to avoid having to do this - use the "ADD" sub-keyword when processing in Mosflm, so that the batch number for each image data is given an offset; see http://www.mrc-lmb.cam.ac.uk/harry/cgi-bin/keyword2.cgi?PROCESS Both the traditional X11 gui and the new iMosflm allow you

Re: [ccp4bb] scale data with multiple MTZ files

pointless now does this Phil On 11 Jan 2008, at 11:05, Frank von Delft wrote: There's a way to avoid having to do this - use the "ADD" sub- keyword when processing in Mosflm, so that the batch number for each image data is given an offset; see Nevertheless, it *is* a right-royal pain in th

Re: [ccp4bb] scale data with multiple MTZ files

There's a way to avoid having to do this - use the "ADD" sub-keyword when processing in Mosflm, so that the batch number for each image data is given an offset; see Nevertheless, it *is* a right-royal pain in the arse: you're cruising at the synchrotron, crystal collecting and quietly (or no

Re: [ccp4bb] scale data with multiple MTZ files

The task - Sort/ Modify / Combine files does just that.. Eleanor Huiying Li wrote: I tried to scale, using SCALA through CCP4i GUI, three blocks of data collected with one crystal (3 mtz files output from MOSFLM). The GUI has only one MTZ input slot. Which program can be used to combine the 3

Re: [ccp4bb] Sulfate ion on 2-fold axis - Garib?

It needs Garib to answer this! Eleanor Charlie Bond wrote: > Eleanor Dodson wrote: > >> It should be more or less equivalent, but better I think to put 1S at >> 0.5 occ and 2O at occ = 1 >> >> At least in REFMAC the restraints to the symmetry atoms should be set up >> > > But if you do th

Re: [ccp4bb] Coot for Fedora Core 8?

Hi Fred, we use this version and we did not have any problem. http://www.ysbl.york.ac.uk/~emsley/software/binaries/nightlies/pre-release/coot-0.4-pre-2-revision-618-binary-Linux-i386-redhat-8.0.tar.gz We usually use redhat-8.0 binary versions. Best wishes! Petr Kolenko Vellieux wrote: hi, T

[ccp4bb] Postdoc position at Groningen University

I am posting on behalf of Dr. Dirk Slotboom, which has a job opening for a postdoctoral researcher. Post doc position in protein crystallography A 3-year postdoctoral position is available to study the structure of membrane transporters by X-ray crystallography. The position is part of a Eu

[ccp4bb] crystallization robot

Since everybody is showing off their kit (and we have been very well supported by Innovadyne): we at the LMB in Cambridge are extremely happy with our Innovadyne Screenmaker 96+8. It has been doing around 8000 plates per year for the past three years and it works well between 100 and 500 nl (us

Re: [ccp4bb] crystallization robot

What Jan says (in brackets) is true and very important. If you go to great lengths finding the best robot, you might as well use the best plates, and the MRC plates are the best by far that I've ever used. http://www.innovadyne.com/products_iplateSD2.html Andreas Jan Lšowe wrote: Since eve

Re: [ccp4bb] x ray data sets for teaching

The JCSG (www.jcsg.org) have absolutely buckets of high quality diffraction data which I imagine would be excellent for this task. These have the advantage of often being MAD data which will give a pretty decent map with a relatively straightforward shelx / solve script. Cheers, Graeme -Ori

[ccp4bb] Coot for Fedora Core 8?

hi, The subject tells it all. Is there somewhere a version of Coot that is suitable for Fedora Core 8? Thanks in advance, Fred.

Re: [ccp4bb] x ray data sets for teaching

Hi Jeremiah We (the Mosflm developers) use a mercury derivative HypF dataset collected on a Mar IP - there are things "wrong" with the crystal and the data collection, but it processes nicely (you can identify the problems easily), and you can solve the structure from the data; it's avail

[ccp4bb] x ray data sets for teaching

Hello Everyone, I am going to be teaching a class this spring and protein structure and function. I would like to have my students see some diffraction data and integrate images with mosflm. Are there any "free" or available data sets (possibly lysozyme) out there that can be used? Thanks, Jer

[ccp4bb] pirate and R-free

running pirate 0.4.9 w/ gui 1.4.4.2 ; the documentation suggests that R-free can be left unassigned - yet, pirate fails, claiming : colin-wrk-free /*/*/[Unassigned] CCP4MTZfile: import_hkl_data - Missing column, crystal or dataset: /*/*/Unassigned ... so i really need R-free? -bryan

Re: [ccp4bb] crystallisation robot

I sent this personal reply on wednesday to Madhavi Nalam's original question. In the light of recent comments I'm posting it to the BB to support TTP labtech and Mosquito! Some of the points have been made by others now, excuse the repeats! We at YSBL have been very happy with our mosquito. We

Re: [ccp4bb] Sulfate ion on 2-fold axis - Garib?

Best way of refining SO4 two-fold axis is to put al occupancies equal to 0.5 and refine like that. You may need to use newer version to deal better with atoms in special position. Have a look: www.ysbl.york.ac.uk/YSBLprograms/index.jsp You can go from this site to latest refmac site. Any fur

Re: [ccp4bb] Sulfate ion on 2-fold axis - Garib?

I've played around for a while, also read the manual and googled the internet, but just couldn't find a way to set up the restraints to the symmetry related atoms in Refmac5. Could anyone please kindly advice me how to do that? Thank you!!! Jie Eleanor Dodson wrote: > It needs Garib to answer t

[ccp4bb] Speakers for APC/VD conference

Dear All: Here is an opportunity for junior (and also not so junior) fellows to speak at an interesting meeting: I had some oral presenters cancel the last minute for various personal reasons, and I have a few slots open for oral presentations at: - ADVANCES IN PRO

Re: [ccp4bb] crystallisation robot

Thanks to all who replied to my query. Madhavi

Re: [ccp4bb] crystallisation robot

Dear all - Under the BIOXHIT home page, http://www.bioxhit.org you can navigate to "Section 1" or "HTP Crystallization", or simply follow the link below: http://icarus.embl-hamburg.de/bioxhit/bioXHITSection1.jsp It has quite a lot of data on what people use, available facilities, and testin

Re: [ccp4bb] Sulfate ion on 2-fold axis - Garib?

sorry for repeat. Link I gave in the previous mail should be: www.ysbl.york.ac.uk/YSBLPrograms/index.jsp Garib On 11 Jan 2008, at 19:58, Jie Liu wrote: I've played around for a while, also read the manual and googled the internet, but just couldn't find a way to set up the restraints to the s

Re: [ccp4bb] Multiple Signature Motifs in a single protein

This depends of course on your definition of signature motifs, taking this in a broad sense - many proteins that have multiple functional domains probably fit the bill, so you could search for "really huge proteins". For example: FAS (human, not bacterial) - 2504 amino acids in a single chain (!)