Figure 2
The evolution of the quality and completeness indicators as flex-wARP iteratively completes, edits and refines a model for the Ubc9–SUMO complex. The left panels represent the evolution of Rwork and Rfree (plain thin lines in black and grey, respectively), with corresponding values from the reference shown as dashed horizontal lines. The thick grey line corresponds to the correlation of the current likelihood-weighted map to the reference electron-density map. The right panels show the completeness of the model over iteration: a thin grey line presents the number of atoms in the current model compared with the number in the reference structure. The thin black and thick grey lines correspond to the number of built residues and the number of residues assigned to the sequence (hence having their side chain built), respectively. In all panels, marks (triangles and cross) represents the steps where main-chain tracing, sequence docking and side-chain building are performed. The top two panels correspond to the default protocol starting from the molecular-replacement model (§2.2). The middle panels correspond to the protocol that starts from the coordinates alone (removing all the restraints, as described in §2.3). Finally, the bottom two panels represent the results obtained by the protocol starting from the electron density alone (described in §2.4). |