Re: [ccp4bb] images

2009-03-23 Thread Edward A. Berry
4) You do not need buy hard drives, DVDs, .. and no need in suffering from different format of files, ... -disk space is cheap and becoming cheaper And what about different format of pucks/cassettes/tongs etc? I can still read my old Vax backup tapes (on a linux box with an exabyte tape driv

Re: [ccp4bb] images

2009-03-23 Thread Ted Erickson
I would be against the storage of crystals due to a number of reasons. 0) Crystal is harder to be fake than images; From crystal to images, maybe only 1 hour needed; -would be worried about: proper handling of crystals after data collection, ice formation, dropping, remounting if it another futur

Re: [ccp4bb] Crick-Magdoff and anomalous

2009-03-23 Thread Ethan Merritt
On Monday 23 March 2009 14:34:24 Peter Zwart wrote: > Hi, > > > > If we then require that the rms change in intensity be greater than the > > average noise, then we can write down the requirement: > > sigma(I_P) < rms(deltaI) > > > . > > I_P/sigma(I_P) > 1.3*sqrt(MW/N_H)/fpp > > one can actually r

Re: [ccp4bb] Crick-Magdoff and anomalous

2009-03-23 Thread Peter Zwart
Hi, > > If we then require that the rms change in intensity be greater than the > average noise, then we can write down the requirement: > sigma(I_P) < rms(deltaI) > . . . > I_P/sigma(I_P) > 1.3*sqrt(MW/N_H)/fpp one can actually require that abs(delta I) > 3 sigma(delta I) Using eq. 13 from Ac

[ccp4bb] Free Imager available....

2009-03-23 Thread Flip Hoedemaeker
All, Just wanted to point out that Formulatrix is interested in donating an imager plus software to a lab conducting research to advance the human condition, including cancer and other disease research. More info on http://www.formulatrix.com/donation.shtml Flip

Re: [ccp4bb] CCP4 workshop in the USA, 2nd announcement

2009-03-23 Thread Sanishvili, Ruslan
Here is correct website http://www.ccp4.ac.uk/schools/APS-2009/ Sorry for confusion, N. Ruslan Sanishvili (Nukri), Ph.D. GM/CA-CAT Biosciences Division, ANL 9700 S. Cass Ave. Argonne, IL 60439 Tel: (630)252-0665 Fax: (630)252-0667 rsanishv...@anl.gov -Original Message- From: CCP4 bull

[ccp4bb] CCP4 workshop in the USA, 2nd announcement

2009-03-23 Thread Sanishvili, Ruslan
This is 2nd announcement of the CCP4 workshop entitled "CCP4 school: "From data collection to structure refinement and beyond" and to be held in Argonne National Laboratory, near Chicago. A full program and list of speakers is now available. These and other details (application process, accommodat

Re: [ccp4bb] low insect cell expression

2009-03-23 Thread artem
Hi, Which secretion signal(s) did you use? The choice of secretion signal can make or break the entire process. Have you checked total yield of your protein in the cytoplasm and in the medium? Can you make assumptions regarding the bottleneck - is it protein synthesis/folding or is it the secreti

Re: [ccp4bb] low insect cell expression

2009-03-23 Thread artem
Hello Chen, You did not mention perhaps the most important element that can make or break the secretion process - namely the secretion signal. Which signal(s) have you already tried? Have you attempted to quantify the protein made in the total IC? In other terms, is the bottleneck in the protein

[ccp4bb] low insect cell expression

2009-03-23 Thread Daniel Jin
Hi,   We are trying to express a protein in insect cells as secreted. However, the yield is VERY low using either pFastBAC or pAcGP67A. We  have tried many different constructs and this is the only one that at least expresses. I wonder whether anyone knows how to improve. Many thanks.   Best, Ch

Re: [ccp4bb] Problems with phasing a protein (1300aa)

2009-03-23 Thread Jim Pflugrath
On Mon, 23 Mar 2009, Phil Evans wrote: I'm happy to change the column titles if it makes it clearer. Actually the "I/sigma" column in the Scala output is not very useful: it is / RMSscatter, ie the mean intensity/mean error, for individual observations, not taking into account multiple measur

Re: [ccp4bb] Problems with phasing a protein (1300aa)

2009-03-23 Thread Phil Evans
I'm happy to change the column titles if it makes it clearer. Actually the "I/sigma" column in the Scala output is not very useful: it is / RMSscatter, ie the mean intensity/mean error, for individual observations, not taking into account multiple measurements. Because it is ratio of means

Re: [ccp4bb] Problems with phasing a protein (1300aa)

2009-03-23 Thread James Holton
I guess when I talk about signal-to-noise I assume the one that is most relevant to the task at hand. So, to me, I/sigma(I) at the phasing step would be the average intensity (I) divided by the sigma (standard deviation) assigned to it AFTER scaling/mergeing. I admit that the "I/sigma" column

Re: [ccp4bb] Problems with phasing a protein (1300aa)

2009-03-23 Thread Anastassis Perrakis
I like to think of things in terms of signal-to-noise, and one can use a rearrangement of the Crick-Magdoff equation to tell you what the I/ sigma of your data set needs to be for delta-F to be greater than sigma(delta-F): I/sigma(I) > 1.3*sqrt(Daltons/sites)/f" where: I/sigma(I) is the sig

Re: [ccp4bb] Refmac failed at the end of run

2009-03-23 Thread Stein, ND (Norman)
Hi Joe The problem is that your dataset name contains colons, which Windows does not like. This is probably because your original mtz file was generated using scalepack2mtz or dtrek2mtz and you did not explicitly set a dataset name, so that a default was chosen based on the date and time and usin

Re: [ccp4bb] Problem with multiple users running ccp4i on one machine

2009-03-23 Thread Liz Potterton
Miguel, CCP4 are intending a major project on the ccp4i database and one of the requirements will certainly be enabling multi-user access to databases. I'm sure we will be looking for your input on other requirements when we have someone in post. Liz On 22 Mar 2009, at 08:11, Miguel Orti

Re: [ccp4bb] Interaction between the domains

2009-03-23 Thread Joe Crystal
Contact in CCP4i can calculate the distance between specified chains/residues. Pymol can display hydrogen bonds too. Joe peter hudson wrote: Hello all I have a very quick question. Is there any programme, which can calculate the H-bond pattern or residues involved in H-bonds formation betw

[ccp4bb] SOLVED: about the most recent ccp4 installation

2009-03-23 Thread Ingo P. Korndoerfer
sorry ... user error ... input is case sensitive ... :-) ingo >it seems you have a version of coot in there, where the "get monomer" >via 3-letter code is broken. alternatively "search monomer" does work, >you can click on the molecule of choice and it gets nicely imported ... > >not sure whether

[ccp4bb] about the most recent ccp4 installation

2009-03-23 Thread Ingo P. Korndoerfer
it seems you have a version of coot in there, where the "get monomer" via 3-letter code is broken. alternatively "search monomer" does work, you can click on the molecule of choice and it gets nicely imported ... not sure whether there is a newer version that would work ... cheers ingo -- CREL

[ccp4bb] refmac not rerunnable

2009-03-23 Thread Eleanor Dodson
This is VERY VERY VERY irritating! Why has it been allowed... Is there any advantages?? Eleanor#

Re: [ccp4bb] Angle between two different helices from two different subunits

2009-03-23 Thread Charlie Bond
You don't necessarily need, or want, a program to do it. The trick is to determine exactly which points in space you want to use. If you can select a start and end point for each of your strands and record their x,y and z, that gives you vectors you can apply some basic vector geometry to, e.g

Re: [ccp4bb] Angle between two different helices from two different subunits

2009-03-23 Thread cedric bauvois
Hi all, is there a similar software for beta strands ? thanks 2009/3/23 Guenter Fritz > Hi Peter, > > you can do that with interhlx: > http://nmr.uhnres.utoronto.ca/ikura/resources/data+sw/interhlx/ > > There is also a way to determine the interhelical angle with molmol, > http://hugin.ethz.ch

Re: [ccp4bb] Angle between two different helices from two different subunits

2009-03-23 Thread Guenter Fritz
Hi Peter, you can do that with interhlx: http://nmr.uhnres.utoronto.ca/ikura/resources/data+sw/interhlx/ There is also a way to determine the interhelical angle with molmol, http://hugin.ethz.ch/wuthrich/software/molmol/ defining cylinders for the helices. HTH Guenter Hi all I would be interes

[ccp4bb] Angle between two different helices from two different subunits

2009-03-23 Thread peter hudson
Hi all I would be interested to know about the programmes which can calculate the angle between the two helices. I want to calculate the angle between the two different helices from two different subunits of the structure. I know a non-supported programme at ccp4 called helixang. Is this programm