Table 3. Data collection and processing.
Values in parentheses are for the highest resolution shell.
| Diffraction source | Beamline X4C, NSLS |
| Wavelength (Å) | 1.1 |
| Temperature (K) | 100 |
| Detector | MAR CCD |
| Space group | P212121 |
| a, b, c (Å) | 64.93, 67.34, 202.13 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution range (Å) | 47.60–1.40 (1.42–1.40) |
| Total No. of reflections | 1396640 (66108) |
| No. of unique reflections | 174550 (8500) |
| Mosaicity (°) | 0.23 |
| Completeness (%) | 99.9 (99.8) |
| Multiplicity | 8.0 (7.8) |
| 〈I/σ(I)〉 | 16.6 (1.9) |
| R p.i.m. | 0.036 (0.59) |
| CC1/2 | 0.99 (0.62) |
| Overall B factor from Wilson plot (Å2) | 14.67 |