[phenixbb] "Table 1" wavelength

Terwilliger, Thomas Charles terwilliger at lanl.gov
Sun Aug 16 15:27:49 PDT 2015

Hi Mohamed,
Normally you would have 2 sets of entries in your Table 1, one for each dataset.  If the second is not isomorphous, yes you can do MR with the MR-SAD model and refine at higher resolution.
All the best,
Tom T

From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of mohamed noor [mohamed.noor34 at gmail.com]
Sent: Sunday, August 16, 2015 3:19 PM
To: PHENIX user mailing list
Subject: [phenixbb] "Table 1" wavelength

Dear all

A trivial question but just to be sure:

For a structure phased and built using MR-SAD with a dataset collected at one wavelength and refined with a higher-resolution dataset at a different wavelength, how should the wavelength be reported in "Table 1"?

And what if the higher-resolution dataset is not isomorphous to the anomalous dataset? Is it sensible to do MR-SAD first, redo MR with the better dataset against the MR-SAD model and then refine at the higher resolution (about 0.8 A better)?

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