[ccp4bb] how to cut back resolution of a well-refined model

2013-10-10 Thread Yafang Chen
Hi All, I have a structure at 2.45A which has been well refined. However, since the R-merge at the last shell is above 1 (although I/sigmaI at the last shell is more than 2), we now decide to cut back the resolution to about 2.6A. Is there a way to do this based on the well-refined model instead

Re: [ccp4bb] how to cut back resolution of a well-refined model

2013-10-10 Thread Phil Evans
Please explain how you think that cutting back the resolution will improve your model Phil On 10 Oct 2013, at 21:57, Yafang Chen yafangche...@gmail.com wrote: Hi All, I have a structure at 2.45A which has been well refined. However, since the R-merge at the last shell is above 1 (although

Re: [ccp4bb] how to cut back resolution of a well-refined model

2013-10-10 Thread Gerard Bricogne
Dear Yafang, Is it the case that you collected these data on a Pilatus detector, using relatively low exposure and high multiplicity? These types of datasets always give what looks like alarmingly high values of R-merge, and many people who are set in their ways (like so many reviewers still

Re: [ccp4bb] how to cut back resolution of a well-refined model

2013-10-10 Thread Jim Pflugrath
this. From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Gerard Bricogne [g...@globalphasing.com] Sent: Thursday, October 10, 2013 5:28 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] how to cut back resolution of a well-refined model Dear Yafang

Re: [ccp4bb] how to cut back resolution of a well-refined model

2013-10-10 Thread Mike Lawrence
bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Gerard Bricogne [g...@globalphasing.com] Sent: Thursday, October 10, 2013 5:28 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] how to cut back resolution of a well-refined model Dear Yafang, Is it the case that you collected

Re: [ccp4bb] how to cut back resolution of a well-refined model

2013-10-10 Thread Ethan A Merritt
: Thursday, October 10, 2013 5:28 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] how to cut back resolution of a well-refined model Dear Yafang, Is it the case that you collected these data on a Pilatus detector, using relatively low exposure and high multiplicity? These types

Re: [ccp4bb] how to cut back resolution of a well-refined model

2013-10-10 Thread Pavel Afonine
Hi Yafang, perhaps you should calculate the actual resolution first (as described here: *Acta Cryst.* (2013). D*69*, 1921-1934) and then go from that? Pavel On Thu, Oct 10, 2013 at 1:57 PM, Yafang Chen yafangche...@gmail.com wrote: Hi All, I have a structure at 2.45A which has been well