Table 1.
Diffraction Data and Refinement Statistics for chLGP2
| Crystal |
chLGP2 5′ppp 10-mer dsRNA ADP:AlF4:Mg2+ |
chLGP2 5′p 10-mer dsRNA ADP:AlF4:Mg2+ |
chLGP2 5′ppp 10-mer 3′ ovg dsRNA ADP:AlF4:Mg2+ |
chLGP2 5′p 12-mer dsRNA |
|---|---|---|---|---|
| Diffraction data | ||||
| Space group | P212121 | P212121 | P212121 | P64 |
| Cell dimensions (Å) | a = 70.14, b = 96.58 | a = 69.59, b = 97.05 | a = 69.86, b = 97.43 | a = b = 90.09, |
| c = 122.86 | c = 122.52 | c = 122.58 | c = 196.73 | |
| α = β = γ = 90 | α = β = γ = 90 | α = β = γ = 90 | α = β = 90, γ = 120.00 | |
| Wavelength (Å) | 0.8726 | 0.9786 | 1.072 | 0.9786 |
| Resolution range of data (last shell) (Å) | 50.0–2.2 (2.28–2.2) | 50.0–1.50 (1.55–1.50) | 50.0–2.0 (2.10–2.0) | 45.04–3.60 (3.73–3.60) |
| Completeness (last shell) (%) | 99.9 (99.4) | 99.9 (99.8) | 99.9 (98.7) | 99.8 (99.0) |
| R-sym (last shell) (%) | 16.9 (83.5) | 4.8 (74.6) | 25.9 (79.5) | 6.7 (118.0) |
| I/σI (last shell) | 8.73 (1.87) | 17.6 (2.31) | 6.31 (1.38) | 20.74 (2.01) |
| Redundancy (last shell) | 6.64 (6.50) | 5.25 (5.27) | 4.47 (4.35) | 11.51 (10.32) |
| Refinement | ||||
| Reflections used in refinement work (free) | 40,943 (2,114) | 126,226 (6,681) | 53,847 (2,814) | 10,121 (542) |
| R-work (last shell) | 0.188 (0.267) | 0.133 (0.244) | 0.218 (0.333) | 0.253 (0.359) |
| R-free (last shell) | 0.245 (0.294) | 0.168 (0.292) | 0.255 (0.317) | 0.319 (0.346) |
| Number of non-hydrogen atoms | 6,458 | 6,638 | 6,188 | 5,540 |
| Protein | 5,616 | 5,531 | 5,356 | 5,028 |
| RNA | 464 | 495 | 506 | 512 |
| Ligand (nucleotide) | 33 | 33 | 33 | – |
| Solvent | 345 | 579 | 293 | – |
| Geometry and B factors | ||||
| Rms (bonds) | 0.009 | 0.013 | 0.008 | 0.006 |
| Rms (angles) | 1.365 | 1.510 | 1.278 | 0.954 |
| Ramachandran favored (%) | 97.1 | 98.4 | 97.5 | 94 |
| Ramachandran outliers (%) | 0.72 | 0.15 | 0.15 | 0.32 |
| Clash score | 1.59 | 3.70 | 1.93 | 1.11 |
| Average B factor | 34.0 | 29.9 | 39.2 | 202.8 |
| Protein | 34.3 | 29.5 | 39.4 | 205.9 |
| RNA | 30.8 | 22.8 | 36.7 | 173.1 |
| Ligand (nucleotide) | 20.4 | 22.9 | 30.4 | – |
| Solvent | 33.6 | 40.7 | 38.7 | – |
Rms, root-mean-square.