Table 1.
Diffraction data, refinement, and model statistics
| Parameters | RNase J1 (PDB: 6K6S) | RNase J2 (PDB: 6K6W) |
|---|---|---|
| Wavelength (Å) | 0.966 Å | 1.5418 Å |
| Resolution (Å) | 50.58–2.99 (3.17–2.99) | 36.39–2.56 (2.7–2.56) |
| Space group | P6122 | P1211 |
| Cell dimensions | a = b = 86.07 Å, c = 486.84 Å | a = 64.55 Å, b = 131.04 Å, c = 115.90 Å, β = 91.72° |
| Rsym (%) | 9.5 (80.2) | 14.3 (71.9) |
| Total number of reflections | 133,065 (23,856) | 265,384 (21,850) |
| Total number of unique reflections | 21,554 (3405) | 47,771 (3949) |
| Multiplicity | 6.2 (7.0) | 5.6 (5.5) |
| Mean I/σI | 19.8 (1.4) | 9.5 (3.0) |
| Completeness (%) | 95.4 (96.2) | 90.6 (81.8) |
| Anomalous completeness (%) | 83.9 (85.0) | 85.6 (76.3) |
| CC(1/2) | 0.971 (0.764) | 0.986 (0.744) |
| Solvent content (%) | 49.97 | 47.82 |
| Mosaicity (°) | 0.76 | 1.12 |
| Average B factors (Å2) | 97 | 31.1 |
| Rfree (%) | 32.90 | 25.46 |
| Rwork (%) | 28.62 | 20.02 |
| r.m.s. deviations | ||
| Bonds (Å) | 0.005 | 0.006 |
| Angles (°) | 1.06 | 0.93 |
| Ramachandran outliers (%) | 0.34 | 0.11 |
| Ramachandran preferred (%) | 92.95 | 97.00 |
| Ramachandran allowed (%) | 6.70 | 2.89 |
| Number of nonH atoms | 5848 | 13,403 |
| Protein residues | 884 | 1772 |
| Metal ions | 4 | 2 |
| Water | 11 | 113 |
Values for outer shells are given in parenthesis.
Rsym = Σj|−Ij|/Σ, where Ij is the intensity of the jth reflection and is the average intensity.
Rwork = Σhkl|Fo – Fc|/Σhkl|Fo|.
Rfree was calculated as for Rwork but on 5% of the data excluded from the refinement calculation.