Table 1. Summary of data-collection statistics for the cryoprotected and room-temperature data sets.
In order to make a comparison of the scaling statistics, we chose to set the resolution ranges to equal values. Numbers in parentheses refer to the highest resolution shell.
| Cryoprotected | Room-temperature | |
|---|---|---|
| Beamline | 08ID-1, CLS | 08ID-1, CLS |
| Wavelength (Å) | 0.9795 | 0.9795 |
| Temperature (K) | 77 | 293 |
| Detector | Rayonix MX300HE CCD X-ray detector | Rayonix MX300HE CCD X-ray detector |
| Crystal-to-detector distance (mm) | 200 | 200 |
| Rotation range per image (°) | 0.2 | 0.5 |
| Total rotation angle (°) | 180 | 180 |
| Exposure time per image (s) | 0.5 | 0.5 |
| Space group | I222 | I222 |
| a, b, c (Å) | 43.45, 121.65, 130.94 | 43.92, 123.33, 132.12 |
| Resolution range (Å) | 32.74–1.60 (1.69–1.60) | 32.74–1.60 (1.69–1.60) |
| Total No. of reflections | 331587 (46827) | 349808 (50153) |
| No. of unique reflections | 46240 (6655) | 47854 (6922) |
| Completeness (%) | 100 (96.4) | 99 (100) |
| Multiplicity | 7.2 (7.0) | 7.3 (7.2) |
| 〈I/σ(I)〉 | 18.2 (5.9) | 12.3 (3.6) |
| R merge | 0.055 (0.245) | 0.076 (0.563) |
| R r.i.m | 0.059 (0.264) | 0.082 (0.607) |
| R p.i.m | 0.022 | 0.030 |
| Overall B factor (Å2) | 19.580 | 19.230 |