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. 2015 Sep 23;71(Pt 10):1341–1345. doi: 10.1107/S2053230X15016829

Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source Beamline I04, Diamond Light Source
Wavelength () 0.91730
Temperature (K) 100
Detector Pilatus
Crystal-to-detector distance (mm) 326
Rotation range per image () 0.1
Total rotation range () 116
Exposure time per image (s) 0.1
Space group I4122
a, b, c () 143.090, 143.090, 76.430
, , () 90.000, 90.000, 90.000
Resolution range () 67.422.34 (2.402.34)
No. of unique reflections 17040 (1246)
Completeness (%) 99.95 (100)
Multiplicity 8.51 (8.52)
I/(I) 22.4 (3.28)
R merge 0.05 (0.63)
CC1/2 99.9 (75.4)