Table 1. Different MR strategies for nucleic acids of different lengths.
Short | Medium | Long | |
---|---|---|---|
Size (nt) | <30–40 | 40–200 | >200 |
Typical secondary/tertiary structure | Hairpins | Combinations of hairpins | Complex tertiary structures |
Availability of experimental models† (%) | 83.5 | 13.1 | 3.4 |
Identification of structural homologues | Based on size, independently of sequence | By structure-similarity algorithm (sequence covariation) | By structure-similarity algorithm (sequence covariation) |
Strategies to improve MR success | Generally unnecessary | Pruning bases/bases and sugars | Pruning bases/bases and sugars |
Deletion of loops and junctions | Using only selected domains | ||
Supporting the MR search using preliminary experimental phases | |||
Limitations of MR using experimental models | Internal helical symmetry | R.m.s.d.‡ up to 2–3 Å | R.m.s.d.‡ up to 2–3 Å |
Reference models in the absence of experimental data | Ideal helices modeled manually | Combinations of ideal helices modeled manually or | Combinations of ideal helices modeled manually (rare) or |
Three-dimensional motifs modeled de novo or | Three-dimensional motifs modeled de novo or | ||
Homology models | Homology models | ||
Limitations of MR using in silico designed models | Internal helical symmetry | Difficulty in assigning small helical domains | Difficulty in assigning small helical domains |
R.m.s.d.‡ up to 1–1.5 Å | R.m.s.d.‡ up to 1–1.5 Å | ||
References | Baikalov & Dickerson (1998 ▶) | Scott (2012 ▶) | Humphris-Narayanan & Pyle (2012 ▶), Marcia & Pyle (2012 ▶) and this work |
Indicates the percentage of X-ray structures of nucleic acids of the corresponding size (statistics drawn from the PDB on 19 February 2013).
Root-mean-square deviation between the MR search model and the target structure.