[phenixbb] f', f'' of Bromide?

[Pavel Afonine]

  Hi TriNgo,

once you are at the refinement stage, you can do f',f'' refinement:

http://www.phenix-online.org/documentation/refinement.htm#anch22

Pavel.


On 9/16/10 11:00 AM, Tom Terwilliger wrote:
> Hi TriNgo
>
> I would suggest (1) see if you can ask the staff at the synchrotron 
> about the f' and f" values for Br at the wavelengths you used, then if 
> that fails, then (2) just enter in the AutoSol GUI the wavelengths and 
> Br and hit "guess f' and f" values".  This will look up values from a 
> table of scattering factors. The values will be refined for you by 
> AutoSol. If you have a strong anomalous signal then even if they are 
> off this will work fine. However if the signal is weak then having the 
> actual values can be helpful.
>
> All the best,
> Tom T
>
> On Sep 16, 2010, at 11:55 AM, Tri Ngo wrote:
>
>> Dear Phenix-BB members,
>>
>> I am trying to solve the MAD data of one bacteria protein. The 
>> crystal was soaked with 1M Sodium Bromide. The data were collected at 
>> three different wavelength.
>> I intend to use Autosol to solve this structure, but I am not sure 
>> which parameter I should put in the field: f' and f''?
>> I think there is a table in the synchrotron but maybe I didn't notice 
>> about that. So now what should I do?
>>
>> Thank you very much for your input!
>> Best wishes,
>>
>> -- 
>> *
>> *TriNgo*
>> *
>>
>>     Structural Biology Lab
>>
>>     School of Medicine - Sungkyunkwan University
>>
>>     Phone: 031-299-6150
>>
>>
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>
> Thomas C. Terwilliger
> Mail Stop M888
> Los Alamos National Laboratory
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>
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