gap between Wilson B and average B
Dear all, I have a structure at about 3.5 A, which has a wilson B of about 109 and has an average B factor from model is only 49 (I did not use TLS). I read from the previous posts that wilson B is sometimes smaller than average B, but in my case it is reversed. I look at the distribution of model B factors, they are in the range of 8 to 132. Is there any problem with the refinement of this structure? Thanks in advance for all advice! Regards, Fengyun
Hi Fengyun, please send me the data and model files off list and I will have a look and perhaps explain what's happening. Pavel On 5/30/13 9:04 AM, [email protected] wrote:
Dear all,
I have a structure at about 3.5 A, which has a wilson B of about 109 and has an average B factor from model is only 49 (I did not use TLS). I read from the previous posts that wilson B is sometimes smaller than average B, but in my case it is reversed. I look at the distribution of model B factors, they are in the range of 8 to 132. Is there any problem with the refinement of this structure? Thanks in advance for all advice!
Regards, Fengyun
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Hi Fengyun, thanks for sending me the files. I see you are using an ancient version of Phenix (1.8_1069). With the latest version I get Wilson B=106.87 and average B=110.40. Get the latest Phenix (dev-1389 or so) and that will fix the problem. Pavel On 5/30/13 9:04 AM, [email protected] wrote:
Dear all,
I have a structure at about 3.5 A, which has a wilson B of about 109 and has an average B factor from model is only 49 (I did not use TLS). I read from the previous posts that wilson B is sometimes smaller than average B, but in my case it is reversed. I look at the distribution of model B factors, they are in the range of 8 to 132. Is there any problem with the refinement of this structure? Thanks in advance for all advice!
Regards, Fengyun
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Hi Pavel,
Thank you very much! I'll try it.
Fengyun
Quoting Pavel Afonine
Hi Fengyun,
thanks for sending me the files. I see you are using an ancient version of Phenix (1.8_1069). With the latest version I get Wilson B=106.87 and average B=110.40.
Get the latest Phenix (dev-1389 or so) and that will fix the problem.
Pavel
On 5/30/13 9:04 AM, [email protected] wrote:
Dear all,
I have a structure at about 3.5 A, which has a wilson B of about 109 and has an average B factor from model is only 49 (I did not use TLS). I read from the previous posts that wilson B is sometimes smaller than average B, but in my case it is reversed. I look at the distribution of model B factors, they are in the range of 8 to 132. Is there any problem with the refinement of this structure? Thanks in advance for all advice!
Regards, Fengyun
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Pavel Afonine