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. 2014 Feb 15;70(Pt 3):733–743. doi: 10.1107/S1399004713032549

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© Forneris et al. 2014

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

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Comparison of electron densities for the FD R202A (R218A) structure at 1.8 Å resolution refined using conventional refinement (left) and ensemble refinement (right). Shown are (a) an ordered region in the core of the FD molecule, (b) the exosite region for chain B of the asymmetric unit, showing disordered side chains for the surface-exposed residues, (c) the exosite region for chain A of the asymmetric unit, showing poorly defined electron density for the main chain resulting in large displacements of the ensemble models. The panels show the 2mF _o − DF _m map (blue) contoured at 0.38 Å e⁻³ (1.00σ) and the mF _o − DF _m map (green and red) contoured at ±0.31 Å e⁻³ (±2.45σ for standard refinement, ±3.01σ for ER).