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. 2017 Oct 23;73(Pt 11):601–606. doi: 10.1107/S2053230X17014911

Table 3. Data-collection statistics for PmDAP IV.

Values in parentheses are for the outer shell.

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 = Inline graphic Inline graphic, 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.