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. 2016 Jun 21;110(12):2642–2650. doi: 10.1016/j.bpj.2016.05.018

Table 1.

Data Collection and Refinement Statistics

NFeoB
Data Collection

Wavelength (Å) 0.9085
Resolution range (Å) 48.12–3.16 (3.272–3.16)
Space group P 63
Unit cell (Å) 166.7 166.7 65.6 90 90 120
Total reflections 135770 (12380)
Unique reflections 18052 (1753)
Multiplicity 7.5 (7.1)
Completeness (%) 99.6 (96.3)
Mean I/sigma (I) 9.11 (1.39)
Wilson B-factor (Å2) 71.34
R-merge 0.2328 (1.384)
R-meas 0.2501
CC1/2 0.992 (0.362)
CC 0.998 (0.729)

Refinement

R-work 0.207 (0.341)
R-free 0.238 (0.360)
Number of nonhydrogen atoms 3886
Protein residues 509
RMS (bonds) 0.007
RMS (angles) 1.5
Ramachandran favored (%) 97
Ramachandran outliers (%) 0.6
Clashscore 7.01
Molprobity Score 1.77
Average B-factor (Å2) 75.1

Values in parentheses represent values for the shell of highest resolution.