[ccp4bb] Position at deCODE biostructures

2007-11-20 Thread Scott Lovell
Please apply as described below. Senior Research Scientist Position deCODE biostructures is a biopharmaceutical company specializing in protein crystallography with operations in internal and collaborative drug development. We are seeking an X-ray crystallographer to lead gene-to-structure p

[ccp4bb] Installation problem on Fedora 8

2007-11-20 Thread David J. Schuller
I am attempting to install and compile CCP4-6.0.2 along with BLT, Chooch, etc under Fedora 8. I am doing this under the root account, with a default login shell of tcsh. When I run install.sh, BLT and Chooch apear to install OK and then I get these error messages: ## # CCP4 Ins

[ccp4bb] senior scientist at the UWM

2007-11-20 Thread Marius Schmidt
Dear Colleagues, I want to bring the following senior scientist position to your attention. Please do not reply to me but to Abbas Ourmazd directly. == THE UNIVERSITY OF WISCONSIN – MILWAUKEE Senior Research Scientist The

[ccp4bb] external phases in sharp

2007-11-20 Thread Jan Abendroth
Hi all, I am trying to include exteral phase information in a sharp refinement. The phases come from dmmulti. Steps this far: - convert PHI and FOM to HLA and HLB in sftools, - rename PA and PB to HLA and HLB in cad - copy file (xx.extern.mtz) with all F, DANOs and HLA HLB into my datafiles directo

Re: [ccp4bb] Unmerged output from Scala

2007-11-20 Thread Frank von Delft
If you don't put INSCALE OFF, the scales will be applied a second time & you will get (much) worse data I didn't know anyone was doing this You should get the same statistics (Rmerge etc) if you reinput an OUTPUT UNMERGED file with ONLYMERGE; INSCALE OFF Oh wait, I use "RESTORE " with "ONLYM

Re: [ccp4bb] Unmerged output from Scala

2007-11-20 Thread Winter, G (Graeme)
It is worth adding a note that if you are remerging data it is also a great idea to have "sdcorrection noadjust 1.0 0.0" somewhere in your script so that the errors are not inflated a second time by the default values (sdadd of 0.02) - I am pretty sure that this is necessary, certainly seemed to be

Re: [ccp4bb] Unmerged output from Scala

2007-11-20 Thread Phil Evans
If you don't put INSCALE OFF, the scales will be applied a second time & you will get (much) worse data I didn't know anyone was doing this You should get the same statistics (Rmerge etc) if you reinput an OUTPUT UNMERGED file with ONLYMERGE; INSCALE OFF I'll look into how complicated it w

Re: [ccp4bb] Unmerged output from Scala

2007-11-20 Thread Frank von Delft
Does it make a big difference if you *don't* have "INSCALE OFF"? I just notice I've been doing it for years. I use OUTPUT UNMERGED as well in my standard scaling script, in which I run two scalas in sequence: the first writes out the unmerged data and scales, the second only merges. The pur

[ccp4bb] [SUMMARY]: Twinning problem

2007-11-20 Thread Andrew Torelli
To the CCP4 community, I received a number of very helpful replies to my lengthy question last week about twinning and/or problems with indexing. I am very grateful for all the suggestions and I have learned more about what to look for and what to try. You will find the replies (chronolog

Re: [ccp4bb] Protein-detergent micelle sizes

2007-11-20 Thread Van Den Berg, Bert
Jacob, Whether the calbiochem/anatrace catalogues will work for you depends on what you want to know. They do have useful info on micelle sizes (aggregation #s, cmc's etc), but these are values for micelles alone, either in water or 0.1 M salt or something like that. If your question is how mu

Re: [ccp4bb] Protein-detergent micelle sizes

2007-11-20 Thread R.M. Garavito
Jacob, Savvas' suggestion about the the Calbiochem and Anatrace product catalogs is a good one, particularly as the latter is fairly up to date regarding the newest detergents. Reviews tend to be out of date quickly. Also, concerning methods and the odd useful measurements of detergent-

[ccp4bb] Very low B factor

2007-11-20 Thread Jobichen Chacko
Dear All, I am refining a low resolution structure of 3 Angstrom. I refined the structure to 25 R value and 29 R free. But some of the residues are showing very low B factors (less than 5).Please advice me how to tackle this problem. As mentioned in a previous post I used babinet scaling in Refamc

Re: [ccp4bb] Unmerged output from Scala

2007-11-20 Thread Winter, G (Graeme)
Hi Hari, You want the default options, pretty much - this discussion of rarely used options is probably of more interest to methods developers. The server is asking for F, SIGF so that is the merged structure factor amplitudes from Truncate. If you fire up ccp4i and use the scale / merge intens

Re: [ccp4bb] Protein-detergent micelle sizes

2007-11-20 Thread Edward Berry
In case you end up compiling your own list, here is one entry: von Jagow and co-workers (Biochim Biophys Acta. 1977 462(3):549-58.) used tritiated Triton X-100 to measure the binding to Complex III "5. In accordance with the high polarity the amount of bound detergent is relatively low, it amo