Table 1. Data-collection statistics.
Values in parentheses are for the outer shell.
| Source | Beamline 7A, PAL |
| Wavelength (Å) | 0.97935 |
| Detector | ADSC Q270 CCD |
| Temperature of data collection (K) | 100 |
| Crystal-to-detector distance (mm) | 350 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 360 |
| Exposure time per image (s) | 5 |
| Resolution range (Å) | 50.0–2.8 (2.85–2.80) |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 113.4, b = 116.7, c = 176.5 |
| Total No. of reflections | 413163 |
| No. of unique reflections | 55982 |
| Completeness (%) | 96 (92) |
| Molecules per asymmetric unit | 6 |
| V M (Å3 Da−1) | 2.8 |
| Solvent content (%) | 56.3 |
| Average 〈I/σ(I)〉 | 12.9 (1.6) |
| R merge † (%) | 9.1 (42.0) |
| Multiplicity | 7.4 (3.7) |
R
merge =
, where I(hkl) is the intensity of reflection hkl,
is the sum of the overall reflections and
is the sum over the i measurements of reflection hkl.