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Rationale of the B factor in predicting (a) PDB entry 1es5, (b) PDB entry 1i8o, (c) PDB entry 1w66 and (d) PDB entry 1z0w. A uniform value of 20 Å2 and a calculated B factor based on the molecular-dynamics trajectory are applied to the same predicted models for molecular replacement. The orange diamonds represent all B factors assigned as 20 Å2, while the green triangles represent structures with B factors calculated from the trajectory.
