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. 2012 Jun 27;68(Pt 7):764–766. doi: 10.1107/S174430911201740X

Table 2. Crystal parameters and data-collection statistics for the crystal of c-hNO66.

Values in parentheses are for the highest resolution shell.

No. of crystals 1
Beamline BL17U, SSRF
Wavelength (Å) 0.9999
Detector ADSC Quantum 315r
Crystal-to-detector distance (mm) 200
Rotation range per image (°) 0.5
Total rotation range (°) 115
Exposure time per image (s) 1.6
Resolution range (Å) 50–2.29 (2.33–2.29)
Space group P31 or P32
Unit-cell parameters (Å, °) a = 89.35, b = 89.35, c = 304.86, α = β = 90, γ = 120
Mosaicity (°) 0.33
Total No. of measured intensities 1602752
Unique reflections 123682
Multiplicity 3.3 (2.7)
Average I/σ(I) 11.0 (2.0)
Completeness (%) 98.9 (99.9)
R merge (%) 10.8 (55.1)
Overall B factor from Wilson plot (Å2) 44.7

R merge = Inline graphic Inline graphic, where I i(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity of all observations i of reflection hkl.