Simultaneous use of solution NMR and X-ray data in REFMAC5 for joint refinement/detection of structural differences

The program REFMAC5 from CCP4 was modified to allow the simultaneous use of X-ray crystallographic data and paramagnetic NMR data (pseudocontact shifts and self-orientation residual dipolar couplings) and/or diamagnetic residual dipolar couplings. Incorporation of these long-range NMR restraints in...

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Publicat a:Acta Crystallogr D Biol Crystallogr
Autors principals: Rinaldelli, Mauro, Ravera, Enrico, Calderone, Vito, Parigi, Giacomo, Murshudov, Garib N., Luchinat, Claudio
Format: Artigo
Idioma:Inglês
Publicat: International Union of Crystallography 2014
Matèries:
Research Papers
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4306559/
https://ncbi.nlm.nih.gov/pubmed/24699641
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S1399004713034160
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