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. 2014 Nov 14;70(Pt 12):1668–1670. doi: 10.1107/S2053230X14024595

Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source BL44XU, SPring-8
Wavelength () 0.9
Temperature (K) 100
Detector Rayonix MX225-HE
Crystal-to-detector distance (mm) 180
Rotation range per image () 1.0
Total rotation range () 150
Exposure time per image (s) 1.0
Space group P41212 or P43212
a, b, c () 70.90, 70.90, 87.09
, , () 90, 90, 90
Mosaicity () 0.3
Resolution range () 50.01.5 (1.531.50)
Total No. of reflections 248943
No. of unique reflections 35924
Completeness (%) 99.0 (95.8)
Multiplicity 6.9 (3.7)
I/(I) 26.5 (2.3)
R merge † (%) 6.9 (42.0)
†

R merge = Inline graphic Inline graphic, where I i(hkl) is the intensity of the ith measurement of reflection hkl and I(hkl) is the mean value of I i(hkl) for all i measurements.