[phenixbb] Refinement Problem

Ms Chiung-Wen Chang chiungwen.chang at uqconnect.edu.au
Thu Jan 13 03:47:02 PST 2011

i have similar issue as well
i had ran the Xtrige and yep it was suspected as twinning dataset
i can not define my space group so  i ran bounch of space groups in the phaser
i got solution for p22121
every time i ran autobuild it failed ( my resolution is around 2.5)
i have not tried the nightly-build yet -- but i will 
i open the map and model
some part of model can fit nicely but some part are messy
what sould i do ?
im thinking to do map modification .... will it work ? i know the tool on ccp4 but i have not got it right ... always failed.....
any suggestion ??


From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Kay Diederichs [kay.diederichs at uni-konstanz.de]
Sent: Thursday, January 13, 2011 5:08 PM
To: phenixbb at phenix-online.org
Subject: Re: [phenixbb] Refinement Problem

> Date: Wed, 12 Jan 2011 17:12:04 -0500 (EST)
> From: Christopher W Davies<cdavies at purdue.edu>
> To: phenixbb at phenix-online.org
> Subject: [phenixbb] Refinement Problem
> I am having an issue with refining my structure.  I have a 2.36 A resolution dataset.  I have found a solution by molecular replacement in the space group P3221.  I have been refining the structure, however, my Rfactor/Rfree are not decreasing even though I have good density.  My current Rfactor/Rfree values are .40/.43.  Can anyone help me?
> Thanks.
> Chris


there is a collection of things to think about at




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