Table 1. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| CohB2_S | CohB2_L | |
|---|---|---|
| X-ray source | ESRF (ID14-3) | ESRF (ID14-3) |
| Wavelength (Å) | 0.9393 | 0.9393 |
| Detector | ADSC CCD | ADSC CCD |
| Crystal-to-detector distance (mm) | 247.5 | 394.3 |
| Space group | P212121 | P21212 |
| Unit-cell parameters | ||
| a (Å) | 90.36 | 68.76 |
| b (Å) | 68.65 | 159.22 |
| c (Å) | 111.29 | 44.21 |
| Resolution (Å) | 2.00 (2.07–2.00) | 2.90 (2.95–2.90) |
| VM (Å3 Da−1) | 2.79 | 2.46 |
| Solvent content (%) | 55.97 | 50.03 |
| Monomers in ASU | 3 | 2 |
| Data processing | ||
| No. of observed reflections | 357689 | 41898 |
| No. of unique reflections | 47999 | 11536 |
| Completeness (%) | 95.5 (74.9) | 84.7 (79.8) |
| Mean I/σ(I) | 19.6 (2.1) | 22.8 (2.7) |
| Rmerge† | 0.096 (0.48) | 0.064 (0.23) |
R
merge =
, where
denotes the sum over all reflections and
the sum over all equivalent and symmetry-related reflections (Stout & Jensen, 1968 ▶).