Table 1. Data-processing statistics.
| Form I | Form II | |
|---|---|---|
| No. of crystals | 1 | 1 |
| Beamline | ID14-EH4 | ID14-EH4 |
| Wavelength (Å) | 0.9686 | 1.2823 |
| Detector | ADSC | ADSC |
| Crystal-to-detector distance (mm) | 260 | 300 |
| Rotation range per image (°) | 1.0 | 0.5 |
| Total rotation range (°) | 200–360 | 200–300 |
| Exposure time per image (s) | 1 | 1 |
| Resolution range (Å) | 70.0–2.68 (2.82–2.68) | 70.0–4.2 (4.5–4.2) |
| Space group | C2 | P213 |
| Unit-cell parameters (Å, °) | a = 211.1, b = 119.5, c = 74.7, β = 110.6 | a = b = c = 159.7 |
| Mosaicity (°) | 0.70 | 0.74 |
| Total No. of measured intensities | 95985 (13648) | 117517 (12401) |
| Unique reflections | 42488 (6259) | 11727 (1667) |
| Multiplicity | 2.7 (2.4) | 10.4 (10.0) |
| Mean I/σ(I) | 12.0 (2.2) | 16.7 (6.6) |
| Completeness (%) | 95.8 (83.3) | 99.9 (100.0) |
| Rmerge† (%) | 0.089 (0.361) | 0.157 (0.395) |
| Rp.i.m.‡ (%) | 0.056 (0.272) | 0.065 (0.259) |
| Overall B factor from Wilson plot (Å2) | 70.8 | 79.1 |
†
R
merge = 
.
‡
R
p.i.m. = 
, where N is the data redundancy, I
i(hkl) is the observed intensity and 〈I(hkl)〉 is the mean intensity of multiple observations of symmetry-related reflections.