Re: [ccp4bb] unidentified density

2012-10-17 Thread Luthra,Amit
I think it's MPD. I have also observed in my crystals.

Amit Luthra, Ph.D.
Post-Doctoral Fellow
The Radolf Laboratory
Department of Medicine
University of Connecticut Health Center

[e]   alut...@uchc.edumailto:alut...@uchc.edu
[p]   860/ 679 - 8390


From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] On Behalf Of Vandna Kukshal 
[vanx...@gmail.com]
Sent: Wednesday, October 17, 2012 12:38 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] unidentified density

I think it might be PEG. u should try to fit that.


On Wed, Oct 17, 2012 at 7:13 AM, RHYS GRINTER 
r.grinte...@research.gla.ac.ukmailto:r.grinte...@research.gla.ac.uk wrote:
Is this density on an 2 fold axis?

From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK] 
On Behalf Of Sudhir Kumar [sudhir.1...@gmail.commailto:sudhir.1...@gmail.com]
Sent: 17 October 2012 12:07
To: CCP4BB@JISCMAIL.AC.UKmailto:CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] unidentified density

Dear all,
I have been working on the crystal structure of an enzyme in which I found the 
unidentified density (see images in attachments). Crystallization condition has 
Peg 1000, Peg 1500, Ethylene glycol, Tris and MPD. Does any one has any idea 
what it could be?
Thanks
--
best regards
Sudhir Kumar
Research Scholar
C/O Dr. S. Gourinath
Structural Biology Laboratory
SLS, JNU,
New Delhi-110067



--
Vandana kukshal


[ccp4bb] nmr blog

2012-03-22 Thread Luthra,Amit
Is any NMR blog available for discussion?


Amit Luthra, Ph.D.
Post-Doctoral Fellow
The Radolf Laboratory
Department of Medicine
University of Connecticut Health Center

[e]   aut...@uchc.edumailto:aut...@uchc.edu
[p]   860/ 679 - 8390
[w]   http://spirocheteresearch.uchc.edu/


[ccp4bb] SAXS workshop

2012-02-06 Thread Luthra,Amit
Hello
If I am not wrong, there was one posting related with SASX workshop where we 
can also bring own samples. Does someone have that information?  Please send me 
the link.

Thanks a lot

Amit


[ccp4bb] Hydrophobic interactions

2011-12-14 Thread Luthra,Amit
Hi Everyone
I have to calculate hydrophobic interactions in pdb files. Is any server 
available for this type of calculation?

Thanks in advance

Amit


Re: [ccp4bb] mutation and minimization

2011-05-12 Thread Luthra,Amit
Hi 
 If you are familiar with turbo-frodo, you can use it for mutagenesis and 
refinement .  Just go inside the editing menu, replace the residue, save the 
file and REFINE the residue. You can also select the stretch of residues by 
picking the first and last residues so you will get the refinement (best 
rotamer) based on local environment.

Amit Luthra, Ph.D.
Post-Doctoral Fellow
The Radolf Laboratory
Department of Medicine
University of Connecticut Health Center
[w] http://spirocheteresearch.uchc.edu



From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] On Behalf Of Andreas Förster 
[docandr...@gmail.com]
Sent: Thursday, May 12, 2011 11:35 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] mutation and minimization

Hey all,

I would like to introduce point mutations in a structure and quickly
(and dirtily) minimize the new residue.  (Best rotamer dependent on
local environment, or the like.)  What are simple approaches that don't
involve VMD/NAMD or some such overkill.

Thanks.


Andreas



--
 Andreas Förster, Research Associate
 Paul Freemont  Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
 http://www.msf.bio.ic.ac.uk

[ccp4bb] B factor

2011-05-12 Thread Luthra,Amit
Hey all,

I would like to make  one  ribbon diagram of the structure showing the  B 
factor in different colors (contour levels).
I am using pymol but it is not representing the perfect contour level of B 
factor. Is any other program where I can change the color according to B factor?
Thanks


Amit Luthra, Ph.D.
Post-Doctoral Fellow
The Radolf Laboratory
Department of Medicine
University of Connecticut Health Center
[w] http://spirocheteresearch.uchc.edu