Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| EcTet (31–252) | HiMon (33–253) | |
|---|---|---|
| Diffraction source | Beamline 21-ID-D, LS-CAT, APS | Beamline 5-ID-B, DND-CAT, APS |
| Wavelength (Å) | 0.9772 | 0.9793 |
| Temperature (K) | 140 | 140 |
| Detector | Dectris EIGER X 9M | MAR MX225 CCD |
| Crystal-to-detector distance (mm) | 250 | 150.8 |
| Rotation range per image (°) | 0.5 | 0.8 |
| Total rotation range (°) | 200 | 180 |
| Exposure time per image (s) | 0.25 | 6 |
| Space group | P43212 | P21 |
| a, b, c (Å) | 70.001, 70.001, 97.802 | 68.988, 36.927, 95.359 |
| α, β, γ (°) | 90, 90, 90 | 90, 108.08, 90 |
| Mosaicity (°) | 0.30–0.49 | 0.55–1.03 |
| Resolution range (Å) | 22.7–2.10 (2.18–2.10) | 34.50–1.35 (1.40–1.35) |
| Total No. of reflections | 160658 (8220) | 301389 (12818) |
| No. of unique reflections | 14746 (1368) | 91428 (6067) |
| Completeness (%) | 99.23 (94.08) | 90.3 (59.9) |
| Redundancy | 10.9 (5.7) | 3.28 (2.13) |
| 〈I/σ(I)〉 | 17.14 (2.13) | 13.1 (2.9) |
| R meas | 0.116 (0.829) | 0.055 (0.314)† |
| CC1/2 | 0.998 (0.715) | ‡ |
| Overall B factor from Wilson plot (Å2) | 27 | 16 |
†
For the N domain of HiLpoA , the redundancy-independent merging R factor R meas was calculated by multiplying the R merge value of 0.046 by [N/(N − 1)]1/2, where N is the data redundancy.
‡
Not available.