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. Author manuscript; available in PMC: 2014 Mar 11.
Published in final edited form as: J Mol Biol. 2012 Dec 26;425(5):886–901. doi: 10.1016/j.jmb.2012.12.011

Table 1.

Data collection and refinement statistics.

Wavelength (Å) 0.97720
Resolution range (Å) 50 – 2.3 (2.34 – 2.3)
Space group P 21 2121
Unit cell 67.365 67.435 117.868 90 9090
Total reflections 159302
Unique reflections 24338
Multiplicity 6.5 (6.6)
Completeness (%) 99.68 (97.25)
Mean I/sigma(I) 18.05 (6.97)
Wilson B-factor 28.25
R-sym 0.074 (0.32)
R-factor 0.2281 (0.2270)
R-free 0.2479 (0.2761)
Number of atoms 4101
macromolecules 3685
ligands 197
water 67
Protein residues 476
RMS (bonds) 0.009
RMS (angles) 1.23
Ramachandran favored (%) 99
Ramachandran outliers (%) 0
Clashscore 20.03
Average B-factor 22.2
macromolecules 21.6
solvent 21.8