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. 2017 Oct 11;4:68. doi: 10.3389/fmolb.2017.00068

Table 2.

Data collection and refinement statistics of Sgt2_TPR complex.

Resolution range 33.59–2.0 (2.071–2.0) CC (work) 0.845 (0.345)
Space group P 1 21 1 CC (free) 0.725 (0.476)
Unit cell a: 45.49Å, b: 61.09Å c: 55.25Å, α: 90°, β: 108.81°, γ: 90° Number of non-hydrogen atoms 2,340
Total reflections 117,547 (10,486) Macromolecules 2,183
Unique reflections 19189 (1,904) Ligands 9
Multiplicity 6.1 (5.6) Protein residues 280
Completeness (%) 0.99 (0.97) RMS (bonds) 0.006
Mean I/sigma(I) 6.49 (2.84) RMS (angles) 0.68
Wilson B-factor 25.49 Å2 Ramachandran favored (%) 99.63
R-merge 0.354 (0.8515) Ramachandran allowed (%) 0.37
R-meas 0.3851 (0.9392) Ramachandran outliers (%) 0
CC1/2 0.92 (0.531) Rotamer outliers (%) 0
CC* 0.979 (0.833) Clashscore 2.77
Reflections used in refinement 19,279 (1903) Average B-factor 30.91 Å2
Reflections used for R-free 928 (83) Macromolecules 30.60
R-work 0.1576 (0.1903) Ligands 50.77
R-free 0.2025 (0.2587) Solvent 34.38

Statistics for the highest-resolution shell are shown in parentheses.

CC* is a derived quantity that links data and model and estimates the correlation of an observed data set with the underlying true signal.