Table 2. Crystallographic techniques that acquire or model dynamic structural information.
| Technique | Information | Drawbacks |
|---|---|---|
| Atomic displacement parameters | Thermal vibration | Little relevance to function (Lu et al., 2005 ▶) |
| Alternative conformations | Coexisting conformations | Static |
| Ensemble refinement (Gros et al., 1990 ▶; Levin et al., 2007 ▶) | Conformational polymorphism (Lang et al., 2010 ▶) | More parameters and data limitation (Terwilliger et al., 2007 ▶) |
| Structural comparison | Structural differences | Stable structures only |
| Chemical trapping | Intermediate, especially after rate-limiting step† | Difficulty in design |
| Cryotrapping | Intermediate structure | May alter reaction pathway |
| Time-resolved crystallography | Intermediate and reaction mechanism | Difficulty in rapid reaction initiation |
To capture an intermediate after a natural rate-limiting step that cannot accumulate to a sufficient concentration, chemical trapping is the only approach possible to slow down or to stall the next step so that the original step is no longer rate-limiting.