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. 2014 Sep 25;70(Pt 10):1372–1375. doi: 10.1107/S2053230X14018317

Table 3. MsBioF diffraction data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source Beamline BL17U, SSRF
Wavelength () 0.9795
Temperature (K) 100
Detector ADSC Quantum 315 CCD
Crystal-to-detector distance (mm) 350
Rotation range per image () 1
Total rotation range () 360
Exposure time per image (s) 1
Space group P21
a, b, c () 70.88, 91.68, 109.84
, , () 90.0, 97.8, 90.0
Mosaicity () 0.75
Resolution range () 63.032.30 (2.422.30)
Total No. of reflections 428697 (58947)
No. of unique reflections 61286 (8828)
Completeness (%) 98.9 (98.1)
Multiplicity 7.0 (6.7)
I/(I) 10.6 (4.9)
R r.i.m. (%) 11.9 (37.6)
Overall B factor from Wilson plot (2) 36.6

R r.i.m. = Inline graphic Inline graphic, where I i(hkl) is the intensity of the ith measurement of reflection hkl, Inline graphic is the sum over the individual measurements of a reflection and Inline graphic is the sum over all reflections.