Table 1.
Data collection and refinement statistics
| Space group | P 43 |
|---|---|
| Unit cell parameters (Å) |
a = b = 65.57 Å, c = 187.62 Å |
| Resolution (Å) |
50.0-2.31 (2.35-2.31)† |
| Reflections (Total/Unique) |
344112/32820 |
|
††I/σ (I) |
45.7 (3.1) |
| *Rsym (%) |
11.8 (55.1) |
| Completeness (%) |
94.9 (62.5) |
| Refinement |
|
| Resolution (Å) |
45.26-2.31 (2.37-2.31) |
| Reflections (after 2σ cutoff) |
32806 (2376) |
| Completeness (after 2σ cutoff) (%) |
95.0 |
|
‡R (%) |
22.8 (28.3) |
|
**Rfree (%) |
26.5 (33.7) |
| Model quality |
|
|
§RMSD bond length (Å) |
0.012 |
| RMSD bond angles (°) |
1.261 |
| Overall B-factor (Å2) |
80.2 |
| Ramachadran plot |
98.9% (favorite) |
| 1.1% (allowed) | |
| 0% (disallowed) | |
| ***Number of total atoms |
5296 |
| Protein atoms |
5104 |
| Ligand atoms |
192 |
| H2O | 27 |
†The data for the highest resolution shell are shown in parenthesis. *Rsym = S|I- < I > |/SI, where I is the observed intensity, <I > is the statistically weighted average intensity of multiple observations of symmetry-related reflections. ‡R = S||Fo|–|Fc||/S|Fo|, where Fo and Fc are observed and calculated structure factor amplitudes, respectively. **Rfree is calculated for a randomly chosen 10% of reflections. §RMSD–root mean square deviation. ††I/σ(I)–ratio of mean intensity to a mean standard deviation of intensity. *** Number of protein atoms and nucleic acid atoms–the ordered region.