Re: [ccp4bb] relative intensity of ice rings

2012-06-27 Thread JORGE IULEK
Sure, but many times one's got to live with what one gets, ;-). By the way, I keep myself interested in bad, ice "ringed" or whatever, images, that cannot be processed easily and so I try the best I can, as far as I still cannot produce proteins/crystals in the lab here. Cheers, Jorge On Wednesda

Re: [ccp4bb] relative intensity of ice rings

2012-06-27 Thread Felix Frolow
It is better to spent time learning how to collect without ice… :-) FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il

Re: [ccp4bb] The effect of His-tag location on crystallization

2012-06-27 Thread Karolina Michalska
You may want to have a look at 3ur7 and 3ur8. I have also another example of a glycohydrolytic enzyme with an N-terminal His-tag sitting in the active site of a symmetry-related molecule (not deposited yet). Karolina On 27/6/2012, "Brad Bennett" wrote: >I think it was an N-terminal RGS-type H

Re: [ccp4bb] relative intensity of ice rings

2012-06-27 Thread JORGE IULEK
I thank for the references and the comprehensive discussion from Dr. Holton. Also, for the reference indicated by Dr. Berry. I think I will get what I am looking for, now I need to "process" all this information. Partially answering Dr. Holton, my aim is to have a side guide for improving

Re: [ccp4bb] The effect of His-tag location on crystallization

2012-06-27 Thread Florian Schmitzberger
Human leukotriene C4 synthase (PDB accession code: 2UUI) is another example, illustrating how an N-terminal polyhistidine-tag, in conjunction with metals, presumably facilitated crystallization. On Jun 27, 2012, at 12:04 PM, Brad Bennett wrote: I think it was an N-terminal RGS-type His tag i

Re: [ccp4bb] The effect of His-tag location on crystallization

2012-06-27 Thread A. Radu Aricescu
Or indeed support surreal structures :-)) (PMID: 11853672 vs PMID: 14749821 and so on) -- A. Radu Aricescu, PhD University Research Lecturer MRC Career Development Award Fellow University of Oxford Wellcome Trust Centre for Human Genetics Division of Struct

Re: [ccp4bb] The effect of His-tag location on crystallization

2012-06-27 Thread Bosch, Juergen
Here's another example: http://www.pdb.org/pdb/explore/explore.do?structureId=2F62 dimer with "His-tag-ears" without His6-tag this would not have been possible. Jürgen On Jun 27, 2012, at 12:04 PM, Brad Bennett wrote: I think it was an N-terminal RGS-type His tag in 3O8Y (human lipoxygenase) tha

Re: [ccp4bb] The effect of His-tag location on crystallization

2012-06-27 Thread Brad Bennett
I think it was an N-terminal RGS-type His tag in 3O8Y (human lipoxygenase) that mediated crystal contacts with a symmetry related molecule. As I recall, this tag composed a B-strand that formed a nice interface with a "native" B-strand of the symmetry related molecule. Pretty cool... -Brad On Wed

[ccp4bb] PhD Studentship in Dundee, UK

2012-06-27 Thread Paul Fyfe
A PhD studentship is available in Dundee to work in the laboratory of Bill Hunter. The project involves the application of crystallographic methods to support early stage drug discovery targeting bacterial pathogens. A series of targets are available and the student will be engaged in protein pu

[ccp4bb] A postdoctoral position in Dr. Yongqun Zhu lab in LSI, Zhejiang University

2012-06-27 Thread 永群 朱
A postdoctoral position is available in the laboratory of Dr. Yongqun Zhu in Life Sciences Institute, Zhejiang University. Our lab interest is to take approaches of structural biology to study the pathogen-host interactions and cellular signaling transduction involved in cancer biology. In addi

Re: [ccp4bb] The effect of His-tag location on crystallization

2012-06-27 Thread Phoebe Rice
With Flp recombinase - DNA complexes, a C-terminal His tag triggered a different (but sadly not better) crystal form, and the His side chains packed against the bases at the end of a neighboring DNA duplex. = Phoebe A. Rice Dept. of Biochemistry & Molecular

Re: [ccp4bb] The effect of His-tag location on crystallization

2012-06-27 Thread R. M. Garavito
Most of the comments you will get will be anecdotal in that people will report the successful results and do not take the time or effort to characterize the less successful results. This often occurs because the tagged portion of the protein is most often disordered, even in the best crystals.

Re: [ccp4bb] hi all

2012-06-27 Thread Arka Chakraborty
Hi, Two educational softwares which might help you (off course in conjunction with books and articles) are 1) XrayView 2)SpacegroupViz Best Arko On Wed, Jun 27, 2012 at 6:22 PM, Ed Pozharski wrote: > Your question is way to broad to be answered in a reasonable > time/space. > > As for books

Re: [ccp4bb] hi all

2012-06-27 Thread Ed Pozharski
Your question is way to broad to be answered in a reasonable time/space. As for books (plenty of options exist beyond these) There is a 1976 classic http://www.amazon.com/Protein-Crystallography-Molecular-Biology-Series/dp/0121083500 And of course there is a more recent highly recommended htt

Re: [ccp4bb] Phaser Fatal runtime error.

2012-06-27 Thread Roger Rowlett
We have an in-house Agilent (Oxford) system and routinely use data with CCP4. You will need to run sortmtz, scala (w/constant scale), and truncate to prep the data properly. This can be done via batch file or GUI.You may also have to reset/reassign the space group for some space groups due to an ap

[ccp4bb] hi all

2012-06-27 Thread amro selem
Hi  all , thank you for being new member in this group. i also just stated with my PhD in structural biology at Hamburg University (DESY) . i have no Idea about crystallography . I just go step by step. so please help me to find my way for excellence in structural biology. i appreciate your sugg

Re: [ccp4bb] Phaser Fatal runtime error.

2012-06-27 Thread Airlie McCoy
Just to be clear, Phaser does not require the reflections to be in a standard asymmetric unit, only that they are unique (as the error message thrown says). Airlie On Jun 27 2012, Eleanor Dodson wrote: I suspect you didn't request the FreeR assignment on the TRUNCATE interface? This calls am

Re: [ccp4bb] Phaser Fatal runtime error.

2012-06-27 Thread Eleanor Dodson
I suspect you didn't request the FreeR assignment on the TRUNCATE interface? This calls amongst other programs, CAD and CAD makes sure that the reflection list is unique and that it is in a standard asymmetric unit. Most people do it by default so don't hit these problems... I suggest you just

Re: [ccp4bb] apply a spatial transformation on a pdb file n times

2012-06-27 Thread Robert Esnouf
Dear Chris, The script might work technically, but applying the same transformation matrix 100 times to the output of the previous iteration is a recipe for disaster. PDB files only store coordinates to 3 decimal places and your rounding errors will build up horribly. Far better to work out t

[ccp4bb] Research Scientist position Munich

2012-06-27 Thread Andreas Bracher
on behalf of Prof. Michael Sattler: JOB ADVERTISEMENT: The CRC 1035 “Conformational Control of Protein Function by conformational switching“ investigates conformational transitions of proteins and protein complexes using various biophysical and biochemical techniques. To com

Re: [ccp4bb] apply a spatial transformation on a pdb file n times

2012-06-27 Thread Paul Emsley
On 27/06/12 10:03, Froehlich, Chris wrote: Dear colleagues, I want to apply a given x-y-z-rotation/transformation matrix on a pdb file, save the new pdb file and apply the same matrix again on the new pdb file and repeat this e.g. 100 times, thereby saving all pdb files (i.e. 01.pdb, 02.pdb,

[ccp4bb] apply a spatial transformation on a pdb file n times

2012-06-27 Thread Froehlich, Chris
Dear colleagues, I want to apply a given x-y-z-rotation/transformation matrix on a pdb file, save the new pdb file and apply the same matrix again on the new pdb file and repeat this e.g. 100 times, thereby saving all pdb files (i.e. 01.pdb, 02.pdb, 03.pdb etc.). With pdbset this is very easy,

Re: [ccp4bb] Phaser Fatal runtime error.

2012-06-27 Thread Tadeusz Skarzynski
Dear Steve, The mtz file produced by the current version of CrysAlisPro is scaled but unmerged and requires SCALA to produce the merged data set. The new version of CrysAlisPro (currently under testing) will generate the merged mtz file as well. With regards, Tadeusz Agilent Technologies Fro