Table 1. X-ray data-collection statistics.
Values in parentheses are for the outermost resolution shell.
| Beamline | P13, EMBL, Hamburg, Germany |
| Wavelength (Å) | 0.968 |
| No. of crystals | 1 |
| Detector | PILATUS 6M, DECTRIS |
| Δϕ per image (°) | 0.1 |
| No. of images | 1600 |
| Exposure time (s) | 0.5 |
| Crystal-to-detector distance (mm) | 568.06 |
| Space group | P21212 |
| Unit-cell parameters (Å) | |
| a | 155.589 |
| b | 178.736 |
| c | 158.806 |
| Resolution (Å) | 178.74–2.77 (2.92–2.77) |
| Total No. of observations | 678862 |
| No. of unique observations | 112787 |
| R merge † | 0.184 (0.591) |
| R p.i.m. ‡ | 0.074 (0.235) |
| 〈I/σ(I)〉 | 7.5 (3.0) |
| Multiplicity | 6.0 (6.2) |
| Completeness (%) | 99.9 (99.9) |
| Crystal mosaicity§ (°) | 0.102 |
| B factor from Wilson plot (Å2) | 28.2 |
R
merge =
, where Ii(hkl) is an individual intensity measurement and 〈I(hkl)〉 is the average intensity for this reflection.
R
p.i.m. =
, where Ii(hkl) is an individual intensity measurement and 〈I(hkl)〉 is the average intensity for this reflection.
REFLECTING_RANGE_E.S.D. as indicated by XDS (Kabsch, 2010 ▶).