Re: [ccp4bb] How to determine water number?

2009-08-18 Thread Paul Emsley
AntonioLeung wrote: I am a novice working on protein structure. When I pick water using COOT, too many waters picked, filling in the whole cell. "Too many" - hmm. Did you, by any chance, peak-search a difference map without first changing the default sigma cut-off to (say) 3.5? Paul.

Re: [ccp4bb] imosflm with multiple data sets

2009-08-18 Thread Andrew Leslie
Thanks Frank, Luke forgot to tell me that he had actually implemented this ! For those wishing to use this option, the "Matrix" line has to be dragged and "dropped" on the "Sector" line of the segment of data that you want to assign the matrix to, NOT to the Matrix line of that sector. I ag

[ccp4bb] Vacancy for crystallographer at Heptares

2009-08-18 Thread Andrew Leslie
This is posted on behalf of Dr. Fiona Marshall at Heptares. The Heptares web site for applications is: http://home.btconnect.com/heptares/vacancies.html Please respond using the web site or the Email address below, not to me. Andrew Leslie Structural Biologist/Crystallographer Heptares is a

Re: [ccp4bb] Protein Protein interactions

2009-08-18 Thread Eugene Krissinel
Mariah, you may want to try PISA at http://www.ebi.ac.uk/msd-srv/prot_int/pistart.html Eugene On Mon, 17 Aug 2009, protein.chemist protein.chemist wrote: Hello All, Can anyone tell me what are the programs used to find out the different interactions in a protein. I am talking about both int

Re: [ccp4bb] space groups not supported by Refmac5

2009-08-18 Thread Michele Lunelli
Dear Arefeh, Arp/warp works with standard space groups, therefore you have to reindex P21221 to P21212. In this message from Anastassis Perrakis you can find some advice: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind0709&L=CCP4BB&T=0&F=&S=&P=100954 Michele Arefeh Seyedarabi wrote: > Hi,

Re: [ccp4bb] Protein Protein interactions

2009-08-18 Thread Rotem Sertchook
Hi, look in our servers list for interaction and contact analysis http://bip.weizmann.ac.il/toolbox/structure/tertiary.htm#contact pay attention to PISA which is very good for intermolecular and PIC for intra. Good luck Rotem On 17 Aug, 2009, at 20:13, protein.chemist protein.chemist w

Re: [ccp4bb] Scale datasets from different crystals

2009-08-18 Thread Donald Damian Raymond
I tried to scale the two datasets in scala after combining the two unmerged datasets with the sort MTZ program, but scala thinks the two datasets are from the same crystal. The problem is the unit cell constants are not identical. See scala output below. * Number of Datasets = 2 * Datase

[ccp4bb] 1-2 October: What is a Macromolecular Complex ? meeting at the NKI, Amsterdam

2009-08-18 Thread Anastassis Perrakis
Dear all, This is a reminder and some news for the meeting: "What is a macromolecular Complex? Shades of Meaning Across Cellular, Systems, and Structural Biology" http://xtal.nki.nl/Oct2009 - Registration closes on Monday 7th September at 12:00 noon. No exceptions after the deadline. -

Re: [ccp4bb] space groups not supported by Refmac5

2009-08-18 Thread Arefeh Seyedarabi
Thank you all very much for your advice. I will reindex my data to P21212 in order to use Arp/Warp. Best regards, Arefeh Arefeh Seyedarabi, PhD Postdoctoral research assistant School of Biological and Chemical sciences Queen Mary, University of London Mile End road London E1 4NS Based at Joseph

[ccp4bb] SOMoRe

2009-08-18 Thread Scott Walsh
Dear CC4BB users, Does any one know how to get SOMoRe for molecular replacement? The old link and email to Diane Jamrog no longer functions. Also, does any one have a Mac Intel version? Best regards, Scott * Scott T. R. Walsh, Ph.D. C

Re: [ccp4bb] imosflm with multiple data sets

2009-08-18 Thread Andrew Leslie
Hi Hari, This is slightly different, and was indeed a bug in imosflm version 1.0.0. In the new version, released last week (1.0.3) this bug is fixed, so that if images from multiple sectors are used in indexing, the same matrix is defined for all those sectors (ie they will not be marked as U

[ccp4bb] Histogram matching in DM - question

2009-08-18 Thread Peter Grey
Hi everyone, I am trying to use density modification at rather low resolution (4-5A ) for an RNA structure. My first time ever with RNA. I usually use Histogram matching as part of the density modification scheme in DM. But this method is based on density distribution of protein maps I think. Is h

Re: [ccp4bb] Histogram matching in DM - question

2009-08-18 Thread Poul Nissen
Hi Peter, Histogram matching works well for RNA structure, but be aware that density modification in general can be very tricky at low resolution. If by any means you can exploit averaging, e.g. multicrystal averaging of non-isomorphous crystals, it will probably be very helpful. It will

Re: [ccp4bb] Histogram matching in DM - question

2009-08-18 Thread Edward A. Berry
Peter Grey wrote: Hi everyone, I am trying to use density modification at rather low resolution (4-5A ) for an RNA structure. My first time ever with RNA. I usually use Histogram matching as part of the density modification scheme in DM. But this method is based on density distribution of pro

[ccp4bb] selenomethionine labeled protein expression in insect cells

2009-08-18 Thread riya doreen
Hi everyone, I am looking for a method for expressing selenomethionine labeled protein in insect cells. Can anyone point me to a suitable protocol ? Additionally, is anyone aware of companies that may provide this service for a fee ? Thanks

Re: [ccp4bb] selenomethionine labeled protein expression in insect cells

2009-08-18 Thread Brad Bennett
Hi Riya- Expression Systems has a protocol for SeMet incorporation (Click on the "Selenomethionine Incorporation" pdf file at http://www.expressionsystems.com/?mvcTask=documents) and they advertise that they do just about anything you would want to do with insect cells (see http://www.expressionsys

Re: [ccp4bb] selenomethionine labeled protein expression in insect cells

2009-08-18 Thread Engin Ozkan
We have unsuccessfully used in the past (by that I mean less than stellar incorporation) the Gibco/Invitrogen Sf900-SFM w/o Met/Cys media. Then we saw Karin Reinisch's paper (Dong et al, Immunity, 2009) and they used Expression Systems' ESF921. This protocol works for us. Engin On 8/18/09 2:4