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<p class="MsoNormal">Hi,</p><p class="MsoNormal"><br></p>
<p class="MsoNormal">I am in the last refinement steps of a MR model and I want
to calculate an anomalous difference map<span style>
</span>essentially to confirm the presence of a sulfite molecule and to locate vanadium
(present in soaking solution). I read that it is necessary to have a mtz file
with anomalous data (i.e. F+,F- or I+,I-). However, my data was collected at “normal”
wavelenght (0.97) and it was processed with XDS considering Friedls law= true
and my mtz file contain the following columns: H K L FP SIGFP. So, can I still
calculate a anomalous difference map based on my data?</p><p class="MsoNormal"><br> </p>
<p class="MsoNormal">Since I also have a Mo atom in the active site can I try to
refine its occupancy by using the option “anomalous groups” in the refinement
strategy? <br></p><p class="MsoNormal"><br></p>
<p class="MsoNormal">Thank you very much, </p>
<span style="font-size:11pt;line-height:115%;font-family:"Calibri","sans-serif"">Alexandra</span></div>