Table 1. Crystallographic data collection and refinement statistics.
| Data collection | |
| X-ray source | BL14.1 BESSY-MX Berlin |
| Wavelength | 0.9184 Å |
| Detector | Mar CCD MX-225 |
| Spacegroup | C2221 |
| Unit cell parameters(Å) | a = 89.2, b = 122.7,c = 81.9 |
| Matthews coefficient (Å3 Da−1) | 2.68 |
| Molecules per asymmetric unit | 1 |
| Resolution range (Å)a | 34 − 2.48 (2.63 - 2.48) |
| Completeness (%) | 99.6 (97.6) |
| R obs (%)b | 12.2 (59.8) |
| R meas (%) | 13.2 (64.6) |
| Unique reflections | 16184 (2514) |
| Average redundancy | 7.2 (7.0) |
| Average I/σ(I) | 12.9 (3.2) |
| Wilson B-factor (Å2) | 41.6 |
a
Values for the highest resolution shell in parentheses.
b
R obs = ∑|Ij−<I>|/∑ Ij , where Ij is the measured intensity of reflection j, and <I> is the mean intensity of symmetry-related reflections.
c
Ten percent of reflections were randomly assigned to R free set.
d
Program PROCHECK [50].