Table 1.
Crystallographic and refinement statistics for wild-type Ago2-guide-target complexes
| Target RNA | t1-C | t1-G | t1-U | t1-DAP | t1-Inosine |
|---|---|---|---|---|---|
| PDB code | 4Z4C | 4Z4D | 4Z4E | 4Z4F | 4Z4G |
| Space group | P1211 | P1211 | P1211 | P1211 | P1211 |
| Unit cell dimensions | |||||
| a (Å) | 55.69 | 55.74 | 55.64 | 55.86 | 55.66 |
| b (Å) | 116.56 | 117.02 | 116.84 | 116.60 | 117.0 |
| c (Å) | 69.61 | 69.87 | 69.74 | 70.38 | 70.1 |
| β (°) | 92.43 | 92.43 | 92.43 | 92.52 | 92.40 |
| Ago2 per ASU | 1 | 1 | 1 | 1 | 1 |
| Data collection | |||||
| Wavelength (Å) | 0.97945 | 0.97950 | 0.97918 | 0.97950 | 0.97950 |
| Resolution (Å) | 38.85–2.30 (2.38–2.30) | 39.01–1.60 (1.63–1.60) | 55.60–1.80 (1.90–1.80) | 38.86–2.80 (2.95–2.80) | 39.01–2.70 (2.83–2.70) |
| Total reflections | 133,678 | 532,622 | 351,634 | 65,587 | 75,249 |
| Unique reflections | 38,614 | 113775 | 82,071 | 21,078 | 24,061 |
| Completeness (%) | 98.4 (96.3) | 96.8 (93.5) | 99.7 (99.7) | 95.0 (92.6) | 97.2 (91.9) |
| Redundancy | 3.5 (3.4) | 4.7 (4.6) | 4.3 (3.7) | 3.1 (3.0) | 3.1 (2.9) |
| I/σI | 13.1 (2.2) | 13.7 (2.0) | 10.3 (1.9) | 9.9 (2.4) | 9.6 (2.2) |
| Rmerge | 7.7 (53.0) | 5.5 (74.9) | 9.8 (81.9) | 9.8 (57.7) | 8.4 (48.2) |
| Rpim | 7.3 (49.2) | 3.1 (59.0) | 5.3 (47.4) | 9.7 (57.1) | 6.4 (36.3) |
| Refinement | |||||
| Resolution (Å) | 35.30–2.30 | 39.01–1.60 | 40.27–1.80 | 35.47–2.80 | 35.41–2.70 |
| R-free/R-factor | 21.86/16.93 | 18.90/16.31 | 18.54/15.75 | 23.30/18.39 | 22.44/17.86 |
| R.M.S. deviation | |||||
| Bond distances (Å) | 0.014 | 0.014 | 0.007 | 0.006 | 0.008 |
| Bond angles (°) | 1.454 | 1.460 | 1.131 | 0.903 | 0.989 |
| Number of atoms | |||||
| Non-hydrogen, protein | 6429 | 6469 | 6429 | 6421 | 6404 |
| Non-hydrogen, RNA | 568 | 580 | 552 | 571 | 572 |
| Phenol | 28 | 28 | 28 | 21 | 28 |
| Isopropanol | 4 | 20 | 8 | 0 | 0 |
| Phosphate | 10 | 0 | 5 | 0 | 0 |
| Mg | 3 | 3 | 3 | 3 | 3 |
| Water | 279 | 554 | 545 | 16 | 105 |
| Ramachandran Plot | |||||
| Most favored regions | 95.33% | 96.79% | 96.97% | 94.93% | 95.17% |
| Additionally allowed | 4.54% | 3.21% | 3.03% | 4.94% | 4.83% |
| Generously llowed | 0.13% | 0.00% | 0.00% | 0.13% | 0.00% |