Table 3. Data-collection statistics for PmDAP IV.
Diffraction source | BL17A, Photon Factory |
Wavelength (Å) | 0.9800 |
Temperature (K) | 95 |
Detector | ADSC Q270 |
Crystal-to-detector distance (mm) | 250.1 |
Rotation range per image (°) | 0.15 |
Total rotation range (°) | 200 |
Exposure time per image (s) | 1 |
Space group | P1 |
a, b, c (Å) | 88.66, 104.49, 112.84 |
α, β, γ (°) | 67.42, 68.83, 65.46 |
Mosaicity (°) | 0.11 |
Resolution range (Å) | 50.0–1.90 (2.00–1.90) |
Total No. of reflections | 540678 (59278) |
No. of unique reflections | 245086 (27199) |
Completeness (%) | 94.2 (71.5) |
Multiplicity | 2.2 (2.2) |
〈I/σ(I)〉 | 6.5 (2.0) |
R merge † | 0.082 (0.316) |
Overall B factor from Wilson plot (Å2) | 12.5 |
R merge = , where Ii(hkl) is the ith intensity measurement of reflection hkl and 〈I(hkl)〉 is the average of symmetry-related (or Friedel-related) observations of a unique reflection.