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Figure 3
DEN refinement of the crystal structure of activated β2AR could have accelerated the process of iterative model building. The final deposited crystal structure of activated β2AR (gray; PDB entry 3p0g ) is superimposed with (a) the crystal structure of the inactive form (blue; PDB entry 2rh1 ) that was used as a molecular-replacement search model, (b) a model (green) obtained by a `standard' refinement procedure (ten macrocycles with phenix.refine) and (c) a model (red) obtained from DEN refinement. DEN refinement caused large movements towards the deposited structure (gray) in the transmembrane helices, in particular for helix TM 6 (red arrow). The Cα r.m.s.d. value between the DEN-refined model and the deposited structure (1.77 Å) is lower than that obtained by `standard' refinement (2.09 Å; green model).

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
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