I am fairly certain that I have the correct space group. I had initially processed my data in P3, P31, and P32, however, I could not obtain a molecular replacement solution. I then went back to APS and reprocessed my data in higher space groups and I found three more space groups, P321, P3121, and P3221. P3221 was the only space group to give me a molecular replacement solution.
Thanks for you help.
Chris
----- Original Message -----
From: "Kelly Daughtry"
To: "PHENIX user mailing list"
Sent: Wednesday, January 12, 2011 5:15:40 PM
Subject: Re: [phenixbb] Refinement Problem
Hello Chris, The standard question here is: Are you certain of your space group? That seems to be the main culprit behind R factors that wont decrease.
Can you provide some statistics showing your confidence in your space group?
Kelly Daughtry
*******************************************************
Kelly Daughtry, Ph.D.
Post-Doctoral Fellow, Raetz Lab
Biochemistry Department
Duke University
Alex H. Sands, Jr. Building
303 Research Drive
RM 250
Durham, NC 27710
P: 919-684-5178
*******************************************************
On Wed, Jan 12, 2011 at 5:12 PM, Christopher W Davies < [email protected] > wrote:
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
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