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 |
Values for the highest resolution shell in parentheses.
R obs = ∑|Ij−<I>|/∑ Ij , where Ij is the measured intensity of reflection j, and <I> is the mean intensity of symmetry-related reflections.
Ten percent of reflections were randomly assigned to R free set.
Program PROCHECK [50].