Date: Wed, 13 Jul 2011 08:38:38 -0700
From: careinaedgo...@yahoo.com
Subject: [ccp4bb] large R-Rfree difference in final structure
To: CCP4BB@JISCMAIL.AC.UK
Dear ccp4 bulletin board
I just have a slight concern regarding my Rwork Rfree difference. I
have a structure that I have solved. I am
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On
Behalf Of Careina Edgooms
Sent: Wednesday, July 13, 2011 5:39 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] large R-Rfree difference in final structure
Dear ccp4
Dear ccp4 bulletin board
I just have a slight concern regarding my Rwork Rfree difference. I have a
structure that I have solved. I am reasonably content that it is complete
because it has refined well, it no longer has bad geometries and contacts and
all the rotamers, ramachandra, bond
Hi Careina,
I just have a slight concern regarding my Rwork Rfree difference. I have a
structure that I have solved. I am reasonably content that it is complete
because it has refined well, it no longer has bad geometries and contacts
and all the rotamers, ramachandra, bond lengths etc are
What leads you to believe Rfree is too high? - without knowing your
data/parameter ratio it's impossible to tell. If you look at our paper Acta
Cryst. (1998). D54, 547-557 (see Fig 1), then calculate the ratio y =
Rfree/Rwork: in this case it is 0.33/0.24 = 1.375. Now look at the curve
labelled
- Original Message -
From: Careina Edgooms careinaedgo...@yahoo.com
To: CCP4BB@JISCMAIL.AC.UK
Sent: Wednesday, July 13, 2011 11:38:38 AM
Subject: [ccp4bb] large R-Rfree difference in final structure
Dear ccp4 bulletin board
I just have a slight concern regarding my
Careina,
I recommend to compare the quality of your data (Rmerge) to that of an average
data set of same resolution. Do you have meaningful data to 2.3A resolution?
Another possibility is the anisotropicity of your data. Try this server
http://services.mbi.ucla.edu/anisoscale/, if the
resolution.
Cheers,
Robbie
Date: Wed, 13 Jul 2011 08:38:38 -0700
From: careinaedgo...@yahoo.com
Subject: [ccp4bb] large R-Rfree difference in final structure
To: CCP4BB@JISCMAIL.AC.UK
Dear ccp4 bulletin board
I just have a slight concern regarding my
:38:38 -0700
From: careinaedgo...@yahoo.com
Subject: [ccp4bb] large R-Rfree difference in final structure
To: CCP4BB@JISCMAIL.AC.UK
Dear ccp4 bulletin board
I just have a slight concern regarding my Rwork Rfree difference. I
have a structure that I have solved. I am reasonably
Date: Wed, 13 Jul 2011 08:38:38 -0700
From: careinaedgo...@yahoo.com
Subject: [ccp4bb] large R-Rfree difference in final structure
To: CCP4BB@JISCMAIL.AC.UK
Dear ccp4 bulletin board
I just have a slight concern regarding my Rwork Rfree difference. I
have a structure
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