Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | Beamline P13, EMBL Hamburg |
| Wavelength (Å) | 0.976246 |
| Temperature (K) | 100 |
| Detector | EIGER 6M |
| Crystal-to-detector distance (mm) | 253.06 |
| Rotation range per image (°) | 0.1 |
| Total rotation range (°) | 360 |
| Exposure time per image (s) | 0.008 |
| Space group | P3221 |
| a, b, c (Å) | 86.61, 86.61, 91.79 |
| α, β, γ (°) | 90, 90, 120 |
| Mosaicity (°) | 0.06 |
| Resolution range (Å) | 39.17–1.90 (1.97–1.90) |
| Total No. of reflections | 630894 (63615) |
| No. of unique reflections | 31825 (3148) |
| Completeness (%) | 99.94 (99.84) |
| Multiplicity | 19.8 (20.2) |
| 〈I/σ(I)〉 | 11.06 (1.28) |
| R merge † | 0.1551 (2.516) |
| R p.i.m ‡ | 0.03537 (0.5728) |
| CC1/2 § | 0.998 (0.568) |
| Overall B factor from Wilson plot (Å2) | 39.88 |
†
R
merge =
.
‡
R
p.i.m =
.
§
CC1/2 =
.