Table 1.
Data collection and refinement statistics
| Crystal | 70S-tRNA-Dityromycin | 70S-tRNA-GE82832 | |
|---|---|---|---|
| Diffraction Data | |||
| Space Group | P212121 | P212121 | |
| Unit Cell Dimensions, Å (a × b × c) | 210.08 × 449.83 × 619.65 | 209.68 × 450.64 × 622.54 | |
| Wavelength, Å | 1.100 | 1.100 | |
| Resolution range (outer shell), Å | 49.7–3.00 (3.08–3.00) | 49.7–3.10 (3.18–3.10) | |
| I/σI (outer shell with I/σI=1) | 6.19 (1.00) | 5.19 (0.96) | |
| Resolution at which I/σI=2, Å | 3.27 | 3.45 | |
| Wilson B-factor, Å2 | 66.79 | 70.99 | |
| Completeness (outer shell), % | 98.8 (99.1) | 98.2 (99.2) | |
| Rmerge, % | 19.9 (140.4) | 20.5 (121.9) | |
| CC(1/2) at which I/σI=1, % | 24.0 | 27.5 | |
| No. of crystals used | 1 | 1 | |
| No. of Reflections Used: | Observed | 3,948,062 | 3,118,277 |
| Unique | 1,143,138 | 1,034,964 | |
| Redundancy | 3.45 | 3.01 | |
| Refinement | |||
| Rwork/Rfree, % | 20.3/25.9 | 20.3/25.9 | |
| No. of Non-Hydrogen Atoms | |||
| RNA | 190,374 | 190,375 | |
| Protein | 91,181 | 91,173 | |
| Ions (Mg, Zn, Fe) | 2,003 | 2,003 | |
| Waters | 2,520 | 2,520 | |
| Ramachandran Plot | |||
| Favored regions, % | 93.43 | 92.25 | |
| Allowed regions, % | 5.65 | 6.54 | |
| Outliers, % | 0.92 | 1.21 | |
| Deviations from ideal values (RMSD) | |||
| Bond, Å | 0.010 | 0.009 | |
| Angle, degrees | 1.515 | 1.466 | |
| Chirality | 0.062 | 0.060 | |
| Planrity | 0.007 | 0.007 | |
| Dihedral, degrees | 17.113 | 16.907 | |
| Average B-factor (overall), Å2 | 62.3 | 62.6 | |
Rmerge = Σ |I − <I>| / Σ I, where I is the observed intensity and <I> is the average intensity from multiple measurements.
Rwork = Σ|Fobs − Fcalc| / Σ Fobs. For recalculation of Rfree, 5% of the truncated data set was excluded from the refinement.