Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-14 Thread ccp4
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

Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-14 Thread Herman . Schreuder
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

[ccp4bb] large R-Rfree difference in final structure

2011-07-13 Thread Careina Edgooms
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

Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-13 Thread Pavel Afonine
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

Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-13 Thread Ian Tickle
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

Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-13 Thread Gregory T Costakes
- 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

Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-13 Thread aaleshin
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

Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-13 Thread Robbie Joosten
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

Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-13 Thread Adrian Goldman
: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

Re: [ccp4bb] large R-Rfree difference in final structure

2011-07-13 Thread Matthias Zebisch
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