Table 1.
Summary of Data Collection and Refinement Statistics.
| Data Collection | P. aeruginosa RNaseT | E. coli RNase T | |
|---|---|---|---|
| Wavelength (Å) | 0.9794 | 0.9786 | 0.9788 |
| Space group | P21 | I422 | |
| Unit cell dimensions (Å) | a=49.9, b=76.6, c=61.7, 90.0, 93.55, 90.0 | a=213.1, b=213.1, c=149.2, 90.0, 90.0, 90.0 | |
| Resolution Range (Å)* | 19.97–2.09 (2.15–2.09) | 30.0–3.1 (3.21–3.1) | 30.0–3.1 (3.21–3.1) |
| Rmerge ** | 0.125 (0.441) | 0.092 (0.696) | 0.085 (0.845) |
| I/σ(I) | 17.9 (2.6) | 28.9 (2.1) | 27.3 (1.4) |
| Reflections | |||
| Measured | 117,164 | 406,651 | 396,810 |
| Unique | 27,229 | 31,325 | 31,269 |
| Completeness (%) | 99.5 (96.5) | 99.5 (95.1) | 98.9 (89.3) |
| Refinement Statistics | |||
| R factors | |||
| Rwork | 0.158 | 0.196 | |
| Rfree (5% data) | 0.204 | 0.231 | |
| Number of Atoms | |||
| Protein | 3099 | 6039 | |
| Solvent (H2O/Sulfate) | 233 | 65 | |
| Average B-factor (Å2) | 28.6 | 77.4 | |
| r.m.s.d. from ideality | |||
| bond length (Å) | 0.014 | 0.013 | |
| bond angle (°) | 1.345 | 1.369 | |
| Ramachandran Plot Statistics (%) *** | |||
| Residues in most favored regions | 94.0 | 87.9 | |
| Residues in additional allowed regions | 5.7 | 11.1 | |
| Residues in generously allowed regions | 0.3 | 1.0 | |
| Residues in disallowed regions | 0.0 | 0.0 | |
*
Data in parentheses are for the highest resolution shell.
**
Rmerge=Σ(|Ij−<I>|Σ<I>, where Ij is the observed intensity of reflection j and <I> is the average intensity of multiple observations. The calculation is performed for merged Bijovet pairs.
***
Ramachandran Plot statistics are taken from PROCHECK (Laskowski et al., 1993).