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. 2014 Jan 14;14:2. doi: 10.1186/1472-6807-14-2

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.