Hello,
ou should try refinement of anisotropic temperature factors.
Wim
Le 05/09/2025 à 11:39, Catherine Back a écrit :
Good morning,
I am currently solving a structure containing four heme b molecules
(res 1.7 Å), each coordinated by two histidines. The refinement is
looking good, but the output from refinement has marked the Fe ions of
each heme with positive density (green) in the FoFc difference map -
see image. Any ideas why? I used the Monomer Library in Coot to add
hemes ('HEM') in. Is it something to do with the oxidation state of
the Fe? And if so, is there anything I can do about it?
Best wishes,
Catherine
Dr Catherine R. Back (she/her)
Senior Post-doctoral Research Associate
School of Biochemistry
University of Bristol
UK
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*Wim Burmeister*
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Ce ne sont pas les faits qui rendent éco-anxieux, mais ce qu'on fait ou
ne fait pas. /
/
/Anonyme/
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