Table 3.
Data processing and refinement statistics for ADAR2-R2D E488Q bound to dsRNA substrates
| dsRNA substrate | GLI1 G:G w/azaN 32mer | GLI1 G:3deaza-dA w/azaN 32mer |
|---|---|---|
| PDB ID | 8e0f | 8e4x |
| Synchrotron (beamline) | APS (24 ID-E) | APS (24 ID-C) |
| Wavelength (Å) | 0.97918 | 0.97918 |
| Space group | C2 | C2 |
| Unit cell parameters | a = 171.52 Å, b = 63.39 Å, | a = 169.91 Å, b = 63.24 Å, |
| c = 142.13 Å, β = 117.69° | c = 142.65 Å, β = 118.07° | |
| Resolution range (Å) | 125–2.70 (2.82–2.70) | 125–2.80 (2.95–2.80) |
| No. observed reflections | 112 747 (13 563) | 99 409 (15 009) |
| No. unique reflections | 36 652 (4467) | 31 664 (4741) |
| Completeness (%) | 97.8 (98.6) | 95.3 (98.1) |
| I/σ(I) | 9.6 (1.7) | 12.0 (1.2) |
| R merge a (%) | 7.5 (72.8) | 6.4 (117.5) |
| CC1/2 | 0.995 (0.616) | 0.998 (0.524) |
| Refinement statistics | ||
| R factor b (%) | 19.33 | 19.50 |
| R free b (%) | 23.05 | 23.94 |
| RMS bond length (Å) | 0.007 | 0.011 |
| RMS bond angle (°) | 1.307 | 1.422 |
| Ramachandran Plot Statistics c | ||
| Favored (%) | 96.3 | 94.5 |
| Allowed (%) | 3.0 | 5.4 |
| Outliers (%) | 0.7 | 0.1 |
| No. of atoms | ||
| Protein | 6,558 | 6,558 |
| RNA | 1361 | 1359 |
| Inositol hexakisphosphate (IHP) | 72 | 72 |
| Zn | 2 | 2 |
| Waters | 41 | 42 |
a R merge = [∑h∑i|Ih – Ihi|/∑h∑iIhi] where Ih is the mean of Ihi observations of reflection h. Numbers in parenthesis represent highest resolution shell.
b R factor and Rfree = ∑||Fobs| – |Fcalc|| / ∑|Fobs| × 100 for 95% of recorded data (Rfactor) or 5% data (Rfree).
cRamachandran plot statistics from MolProbity (38).