[ccp4bb] June 18 Webinar on MMS technique and Microseeding with Dr Alexey Rak - Sanofi RD

2013-06-18 Thread Soheila Vaezeslami
Dear All, If you are interested in learning more about microseeding techniques, please join TTP Labtech’s June 18th webinar with Dr Alexey Rak, Sanofi RD, discussing high throughput seeding for the crystallization of small molecules-protein complexes and antibody-antigen complexes. ** Register

[ccp4bb] AW: [ccp4bb] str solving problem

2013-06-18 Thread Herman . Schreuder
Dear Pramod, in addition to what has been said already, a few comments from my side. From what you write, the first thing I would do is to check the basics: -Is the protein that crystallized the protein you think it is? Plasmids do get mixed-up and sometimes a more abundant natural protein with

Re: [ccp4bb] str solving problem

2013-06-18 Thread Eugene Valkov
Hi Pramod, Refined LLG value of 1800 and R-factor of 46% at the end of the Phaser run does indicate a good MR solution. Your maps also look quite good and some positive density is visible near side chains. It would be helpful to see your translational Z-scores for both molecules placed, which can

Re: [ccp4bb] AW: [ccp4bb] sigma value in structure file

2013-06-18 Thread Faisal Tarique
Thank you all for your kind reply.. On Mon, Jun 17, 2013 at 7:02 PM, herman.schreu...@sanofi.com wrote: ** Dear Faisal, I might be missing something, but why not ask the annotator instead of the bulletin board? He should know which value is meant. For me, a sigma belongs to a set of

Re: [ccp4bb] str solving problem

2013-06-18 Thread Edward Lowe
Dear Pramod, It's difficult to be certain based on what you have posted but my best guess would be problems with symmetry determination it's quite possible for pointless to be fooled into assigning higher symmetry if some form of pseudo-symmetry is present. What does the native Patterson look

Re: [ccp4bb] ctruncate bug?

2013-06-18 Thread Kay Diederichs
Dear Ed, AFAIK James Holton found the same issue, and a similar problem also existed in XDSCONV. In my view, it is an example of the problem that most programs so far have dealt with weak data in a suboptimal way, and have undergone little testing with such data. The latest version of XDSCONV

Re: [ccp4bb] ctruncate bug?

2013-06-18 Thread Frank von Delft
Hi Kay - could you elaborate on the latest version of XDSCONV has a fix for it? (A look around The Google did not help me.) Cheers Frank On 18/06/2013 11:38, Kay Diederichs wrote: Dear Ed, AFAIK James Holton found the same issue, and a similar problem also existed in XDSCONV. In my view,

Re: [ccp4bb] ctruncate bug?

2013-06-18 Thread Kay Diederichs
Hi Frank, older versions of XDSCONV, for datasets with weak high-resolution data, printed a long list starting with: SUSPICIOUS REFLECTIONS NOT INCLUDED IN OUTPUT DATA SET (at most 100 are listed below) SUSPICIOUS REFLECTIONS NOT INCLUDED IN OUTPUT DATA SET (at

[ccp4bb] Postdoctoral position available @ EMBL-Hamburg, SAXS

2013-06-18 Thread margret
Dear All, I would like to inform you that a postdoctoral position is available at the EMBL Hamburg Unit in the research group of Dmitri Svergun. I attach a brief description of the Vacancy Notice below. Deadline for application is 31st August 2013. Detailed information can be found under :

Re: [ccp4bb] ctruncate bug?

2013-06-18 Thread Jeff Headd
Hi Ed, Thanks for including the code block. I've looked back over the FW paper, and the reason for the h-4.0 cutoff is that the entire premise assumes that the true intensities are normally distributed, and the formulation breaks down at that far out of an outlier. For most datasets I haven't

[ccp4bb] Research Specialist in X-ray Crystallography position available at the BWH

2013-06-18 Thread Rosa Grenha
Dear All, A position has opened for an experienced macromolecular crystallographer to work on immunological relevant targets. (information on where to send your CV is at the bottom) * * Detailed information can be found under :

Re: [ccp4bb] reyhan muhammad

2013-06-18 Thread reyhan muhammad
Hello! http://www.pnlamericas.com/nufv/kuws/boab/bksqp.html?ri=dsirq reyhan muhammad iue

Re: [ccp4bb] ctruncate bug?

2013-06-18 Thread James M Holton
Actually, Jeff, the problem goes even deeper than that. Have a look at these Wilson plots: http://bl831.als.lbl.gov/~jamesh/wilson/wilsons.png For these plots I took Fs from a unit cell full of a random collection of atoms, squared them, added Gaussian noise with RMS = 1, and then ran them back

Re: [ccp4bb] ctruncate bug?

2013-06-18 Thread Kay Diederichs
Hi Jeff, what I did in XDSCONV is to mitigate the numerical difficulties associated with low h (called Score in XDSCONV output) values, and I removed the h -4 cutoff. The more negative h becomes, the closer to zero is the resulting amplitude, so not applying a h cutoff makes sense (to me,