[ccp4bb] heptadecane for crystal shipping

2013-06-05 Thread KL Ho
Dear CCP4BB, I have a question regarding sending protein crystals at ~21 deg C. I was advised to keep the capillaries containing the crystals in a thermos layered with a few bags of heptadecane (mp 20-22 C). I have been searching for quite some time about the working concentration of heptadecane f

Re: [ccp4bb] Extracting .pdb info with python

2013-06-05 Thread Nat Echols
On Thu, Jun 6, 2013 at 2:37 PM, GRANT MILLS wrote: > My script seems to miscount the columns and read the two as one column, > does anyone know how to avoid this? (PS, I've googled this like crazy but I > either don't understand or the link is irrelevant) > You should resist the temptation to w

[ccp4bb] Extracting .pdb info with python

2013-06-05 Thread GRANT MILLS
Dear CCP4BB, I'm trying to write a simple python script to retrieve and manipulate PDB data using the following code: #for line in open("PDBfile.pdb"): #if "ATOM" in line: #column=line.split() #c4=column[4] and then writing to a new document with: #with open("selection.pdb"

Re: [ccp4bb] Active site volume calculator

2013-06-05 Thread Bosch, Juergen
Hi Yuri, http://fpocket.sourceforge.net http://sts-fw.bioengr.uic.edu/castp/calculation.php Just to name 2 Jürgen On Jun 5, 2013, at 7:12 PM, Yuri Pompeu wrote: > Dear BB, > I am sorry for posting off-topic but it is hard not to ask when you know you > can get a good answer ;-) > > I need to

[ccp4bb] Active site volume calculator

2013-06-05 Thread Yuri Pompeu
Dear BB, I am sorry for posting off-topic but it is hard not to ask when you know you can get a good answer ;-) I need to calculate the volume of several active sites. Nothing fancy, just a number for comparison sake. I understand there are probably 10 different ways/programs and I would apprec

Re: [ccp4bb] shelx c/d/e question

2013-06-05 Thread George Sheldrick
Dear Olga, I always run SHELXC/D/E from hkl2map because of the nice graphical diagnostics while the programs are running. If you start hkl2map, give any project name and choose 'more options' you will be able to specify that you need more memory. From your comment I suspect that you are using

[ccp4bb] shelx c/d/e question

2013-06-05 Thread Olga Moroz
Dear All, I am trying to run shelx c/d/e from ccp4 interface (latest updated version of CCP4). The program terminates with message: "Arrays too small to generate reflection data -try -L1". (Which, as I understand, means I have too many reflections, and that one way around the problem is to use

[ccp4bb] Message from JISCMail Helpline: lists with public archives

2013-06-05 Thread JISCMail Helpline
Dear subscribers We've had a lot of queries recently about the availability and visibility of JISCMail list archives in Google. This is just a reminder that messages sent to a list with public archives will be available to anyone on the internet. Your email will not be visible to non-subscri

Re: [ccp4bb] Glutathione rsin

2013-06-05 Thread Katherine Sippel
Thermo Scientific/Pierce has gotten into the protein purification game recently. The resin is slightly cheaper (USD $975/100 ml versus $1656 for GE) and the binding capacity is equivalent. I haven't rigorously run any regeneration tests though. Our local sales rep actually sent us a 1 ml spin colum

Re: [ccp4bb] Helix forming proteins crystallizing as rings

2013-06-05 Thread Bosch, Juergen
Hi Joern, have a look at these two papers (and probably KK is reading this too and can chime in with the right set of coordinates), Korotkov et al. Secretins: dynamic channels for protein transport across membranes. Trends Biochem Sci (2011) vol. 36 (8) pp. 433-43 Reichow et al. Structure of

Re: [ccp4bb] Helix forming proteins crystallizing as rings

2013-06-05 Thread Joern Krausze
Dear Tim, the rings I mean are similar to the one in 4FC4 but to my understanding FocA does not form helices under physiological conditions. I am sorry if I was not specific enough. I will give you more details. I am working on two proteins which are dimers in solution. The first of them crysta

Re: [ccp4bb] Helix forming proteins crystallizing as rings

2013-06-05 Thread Colin Nave
I too am not sure what is being asked but do the TMV helix and disk structures count? See for example slide 3 in http://users.ipfw.edu/blumenth/Virology/Assembly.PDF Colin -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Tim Gruene Sent: 05 June 2

Re: [ccp4bb] Helix forming proteins crystallizing as rings

2013-06-05 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Joern, I am not sure this is what you have in mind: just yesterday I heard a talk from Oliver Einsle about FocA ion channels - look at PDB ID 4FC4, for example forming a (flat) pentamer, and let us know if this is what you mean. Best, Tim On 06

Re: [ccp4bb] Glutathione rsin

2013-06-05 Thread Barbara Giabbai
Hi all. I don't have any experience with Clontech and Fisher resins, but about the GE one I faced the same problem as Sebastiano indicated. But I have to say that the problem was not general, but protein (or family of protein) related: the low binding depends on the oligomerization state of t

[ccp4bb] JOB POSTING: Senior Post-doc or Staff Level Crystallographer, Stanford, CA

2013-06-05 Thread Engin Özkan
Please direct your inquiries to Dr Garcia: Dear Colleagues, I have an opening for a senior post-doc or staff level crystallographer in my group. This is an ideal transitional position for someone at later stages of a post-doc who is looking to bolster experience and/or publication record

Re: [ccp4bb] Glutathione rsin

2013-06-05 Thread Sebastiano Pasqualato
Hi Mirek, hi all, I'm also very interested in the topic, so please keep me up with the replies, or make sure to post a summary, please. In addition to the price, the problem we're facing with GSH-beads from GE (although we haven't tried others yet) is that we can't manage to deplete our lysate