Dear Everyone,
I have to work at home because of the budget cut. However, I still want to do
some research at this difficult time.
I have been used to viewing the crystal structures with stereo view with
program O. I want to find out is it possible to install the stereo option in my
labtop.
From: Eleanor Dodson c...@ysbl.york.ac.uk
To: Sun Tang suntang2...@yahoo.com
Cc: CCP4BB@jiscmail.ac.uk
Sent: Wednesday, July 8, 2009 10:06:41 AM
Subject: Re: [ccp4bb] Why NCS doesn't help?
There are many reasons why this could have ocurred.
One is that your NCS operator is very close to being
with the refinement?
Thank you very much for your suggestions?
Best wishes,
Sun Tang
Dear All,
Thank you very much for all your suggestions. They are very helpful in my
further refinements. I am adding some more information about the problem:
1) The Z-score is 11.2 and LLG is 125.
2) The model has 390 aa while my structure has about 440 aa.
Please let me know of any further
getting rid of model bias in refinement
To: [EMAIL PROTECTED]
Date: Thursday, July 31, 2008, 11:41 AM
Sun Tang wrote:
Hello Everyone,
I have a question about getting rid of model bias in refinement with
refmac. I solved the structure with molecular replacement. After final
refinement
also allows you to make a
composite-omit map. I haven't seen that in phenix yet but presumably it is
doable.
Bill
William G. Scott
Contact info:
http://chemistry.ucsc.edu/~wgscott/
On Jul 25, 2008, at 10:53 PM, Sun Tang wrote:
Hello Everyone,
I have a question about getting rid
Hello Everyone,
I have a question about getting rid of model bias in refinement with refmac. I
solved the structure with molecular replacement. After final refinement of the
structure, I found out some key amino acids in the structure and wanted to make
sure their conformations are correct. I
downloaded the input files from the CNS website and I tried true and false
for the renaming segid but all did not work.
Thank you very much!
Best,
Sun Tang
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to maximize the anomalous signal from Mn or Ca?
Any ideas and suggestions are greatly appreciated!
Sun Tang
-
Never miss a thing. Make Yahoo your homepage.
for your suggestions!
Best wishes,
Sun Tang
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ID = A46BEE1A
On Mon, 4 Feb 2008, Sun Tang wrote:
Hello All,
I refined a structure with Refmac in CCP4i and the R/Rfree is 0.215/0.277.
The difference between R and Rfree is too much even though I used 0.01 for
weighting term in the refinement (the default value is 0.3). The RMSD
.
What may be wrong with the over-refined structure? What is the reason for
leading to an over-refined structure? How to avoid it?
Best wishes,
Sun Tang
-
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and
0.186/0.267 (FOM=0.807) for wa=0.2, respectively. It seemed that increase in wa
decreases both R and Rfree with R more than Rfree.
Which wa value is the best one in this case?
Thank you very much for your valuable help.
Best,
Sun
Ian Tickle [EMAIL PROTECTED] wrote:
Hi Sun Tang
Hi Anastassis,
Thank you very much for your suggestions. I answered the questions as follows.
I used NCS before rigid body refinement. After that I did not put NCS
restraints in the restrained refinement and TLS+restrained refinement because
it raised the R/Rfree quite a lot.
The resolution is
Hi James,
I did check teh B-factors and they are similar to the flanking regions (about
40). The difference density appeared at the later stage of refinement (TLS and
restrained in CCP4i).
What do you think and how to do it?
Best,
Sun Tang
James Irving [EMAIL PROTECTED] wrote: Hi Sun,
I
occupancy for those residues?
Thank you very much for your opinions and suggestions!
Best wishes,
Sun Tang
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the TLS and restrained
refinement in CCP4i. It is hard to tell from the R-factor because they are only
a very small part of the whole structure. Can anyone tell whether it is the
correct way to do?
Any suggestions are greatly appreciated.
Thank you very much!
Sincerely,
Sun
, but for the second one, the
density is much worse than the first one. Are there any ways to improve the
density of the second molecule, such as some kinds of averaging? Why that
happens?
Thank you very much for your help!
Sincerely,
Sun Tang
[EMAIL PROTECTED
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