|
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.
