Re: [ccp4bb] Residual densities!

2010-07-22 Thread Pavel Afonine
: Lijun Liu lijun@ucsf.edu mailto:lijun@ucsf.edu Subject: Re: [ccp4bb] Residual densities! To: CCP4BB@JISCMAIL.AC.UK mailto:CCP4BB@JISCMAIL.AC.UK Pavel, Thanks for the quick response. I just listed out the Fo-Fc column of the reflection files, and it looks the strongest densities are mostly

Re: [ccp4bb] Residual densities!

2010-07-22 Thread Adam Ralph
Dear Lijun Liu, You can use the CCP4 prog sftools to determine if there are just a few strong reflections. Adam On Tue, 20 Jul 2010, Lijun Liu wrote: Hi all, I solved a structure and the refinement is close to complete. However, some residual density puzzles me. The SG is P212121,

Re: [ccp4bb] Residual densities!

2010-07-21 Thread Phoebe Rice
Could any of those strong spots at 2.1 be ice? Original message Date: Tue, 20 Jul 2010 16:13:31 -0700 From: Lijun Liu lijun@ucsf.edu Subject: Re: [ccp4bb] Residual densities! To: CCP4BB@JISCMAIL.AC.UK Pavel, Thanks for the quick response. I just listed out the Fo-Fc

Re: [ccp4bb] Residual densities!

2010-07-21 Thread Lijun Liu
this---I used the wrong nomenclature to address the same thing, I think. Lijun Could any of those strong spots at 2.1 be ice? Original message Date: Tue, 20 Jul 2010 16:13:31 -0700 From: Lijun Liu lijun@ucsf.edu Subject: Re: [ccp4bb] Residual densities! To: CCP4BB

Re: [ccp4bb] Residual densities!

2010-07-21 Thread Edward A. Berry
] Residual densities! To: CCP4BB@JISCMAIL.AC.UK mailto:CCP4BB@JISCMAIL.AC.UK Pavel, Thanks for the quick response. I just listed out the Fo-Fc column of the reflection files, and it looks the strongest densities are mostly along c* and many located in the 2.1A region. I think you may be right

Re: [ccp4bb] Residual densities!

2010-07-21 Thread Lijun Liu
the same thing, I think. Lijun Could any of those strong spots at 2.1 be ice? Original message Date: Tue, 20 Jul 2010 16:13:31 -0700 From: Lijun Liu lijun@ucsf.edu mailto:lijun@ucsf.edu Subject: Re: [ccp4bb] Residual densities! To: CCP4BB@JISCMAIL.AC.UK mailto:CCP4BB

Re: [ccp4bb] Residual densities!

2010-07-21 Thread Edward A. Berry
any of those strong spots at 2.1 be ice? Original message Date: Tue, 20 Jul 2010 16:13:31 -0700 From: Lijun Liu lijun@ucsf.edu mailto:lijun@ucsf.edu Subject: Re: [ccp4bb] Residual densities! To: CCP4BB@JISCMAIL.AC.UK mailto:CCP4BB@JISCMAIL.AC.UK Pavel, Thanks for the quick

Re: [ccp4bb] Residual densities!

2010-07-20 Thread Pavel Afonine
Hi, It looks like the data is highly anisotropic - I've seen it many times. You can either apply anisotropy correction (http://www.doe-mbi.ucla.edu/~sawaya/anisoscale/) or use PHENIX tools to compute the maps - anyone of both should help. The major difference between the two is that PHENIX

Re: [ccp4bb] Residual densities!

2010-07-20 Thread Lijun Liu
Pavel, Thanks for the quick response. I just listed out the Fo-Fc column of the reflection files, and it looks the strongest densities are mostly along c* and many located in the 2.1A region. I think you may be right. Lijun On Jul 20, 2010, at 4:05 PM, Pavel Afonine wrote: Hi, It