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. 2016 Sep 13;12(9):e1005886. doi: 10.1371/journal.ppat.1005886

Table 1. Data collection and refinement statistics.

DENV2 NS5 C-terminal NLS: Impα and DENV3 NS5 C-terminal NLS: Impα data collection and refinement statistics:

DENV2C-termNLS: Impα DENV3C-termNLS: Impα
Wavelength (Å) 0.9537 0.9537
Resolution range (Å) 31.32–2.2 (2.279–2.2) 31.35–2.1 (2.175–2.1)
Space group P 21 21 21 P 21 21 21
Unit cell (Å, °) 79.25 88.96 100.39 90 90 90 78.94 89.88 100.37 90 90 90
Measured reflections 160470 (11571) 172369 (14223)
Unique reflections 36643 (3080) 41892 (3446)
Multiplicity 4.4 (3.8) 4.1(4.1)
Completeness (%) 100 (99) 99 (100)
Mean I/sigma (I) 23.5 (7.6) 10.5 (1.9)
Wilson B-factor (Å2) 26.63 30.26
R pim 0.021(0.085) 0.053(0.455)
Reflections used in refinement 36589 (3555) 41840 (4172)
Reflections used for R-free 1825 (199) 2088 (175)
R-work 0.1770 (0.1943) 0.1825 (0.2659)
R-free 0.2158 (0.2678) 0.2066 (0.2900)
Number of non-hydrogen atoms 3684 3713
macromolecules 3373 3371
Protein residues 440 440
RMS (bonds) (Å) 0.006 0.010
RMS (angles) (°) 1.02 1.34
Ramachandran favored (%) 99 99
Ramachandran allowed (%) 1.4 1.4
Ramachandran outliers (%) 0 0
Rotamer outliers (%) 2.2 2.2
Clashscore 2.79 5.14
Average B-factor (Å2) 36.08 41.38
macromolecules 35.66 40.94
solvent 40.65 45.68

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