TABLE 2.
Data collection and processing statisticsa
| Data collection | CHESS F1 |
|---|---|
| Wavelength (λ, Å) | 0.917 |
| Space group | R32:H |
| Unit cell parameters (Å) | a = 262.6, c = 609.9 |
| Resolution (Å) | 40.0-3.0 (3.1-3.0) |
| No. of unique reflections | 119,617 (8,285) |
| Completeness (%) | 72.3 (50.5) |
| Average I/sigma | 6.5 (2.5) |
| Rmerge (%) | 15.4 (44.3) |
| Refinement | CNS, version 1.2 |
| No. of atoms (protein/solvent/DNA) | 4,117/12/25 |
| Average B factors (Å2) | 61.87 |
| Rcryst/Rfree (%) | 27.5/28.8 |
| RMSD bonds (Å) and angles (degrees) | 0.009 and 1.48 |
| Ramachandran plot | |
| Most favorably allowed (%) | 92.5 |
| Additionally allowed (%) | 7.5 |
a
Values in parentheses are for the highest resolution. CNS, crystallography and NMR system (6). Rmerge = Σ|Ihkl − <Ihkl>|/Σ|Ihkl| × 100, where Ihkl is the intensity of an individual hkl reflection and <Ihkl> is the mean intensity for all measured values of this reflection; the summation is over all equivalent intensities. Rcryst = Σ||Fobs| − |Fcalc||/Σ|Fobs| × 100, where Fobs and Fcalc are the amplitudes for the observed and calculated reflections, respectively. Rfree was calculated with the 5% of reflections excluded from the data set during refinement.