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. 2022 Apr 30;11(5):891. doi: 10.3390/antiox11050891

Table 1.

X-ray crystallographic data collection statistics.

rMroUPO rCviUPO
Wavelength (Å) 0.9792 0.9792
Space group C2221 P212121
Unit cell dimensions:
 a 100.3 Å  78.5 Å
 b 107.4 Å  140.1 Å
 c 186.2 Å  42.2 Å
Resolution (Å) 73.3–1.45 70.1–1.95
Rmeas a 0.094 (0.81) 0.191 (0.99)
Rpim 0.037 (0.33) 0.057 (0.40)
I/σI 12.0 (2.3) 10.1 (2.4)
Completeness (%) 99.4 (99.5) 100 (100)
Redundancy 6.1 (5.8) 10.6 (6.2)
CC1/2 b (%) 99.7 (66.2) 99.4 (83.5)

Statistics for the highest-resolution shell are shown in parenthesis. a Rmeas = Σhkl.(n/n−1)1/2Σi |Ii(hkl)-<|>(hkl)/ΣhklΣiIi(hkl), where Ii(hkl) is the intensity measured for the ith reflection and <I>(hkl)) is the average intensity of all reflections with indices hkl. b CC1/2 is the correlation coefficient between two random half datasets.