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. 2019 Jul 7;9(7):260. doi: 10.3390/biom9070260

Table 1.

Data collection and refinement statistics.

Space Group P212121
Cell dimensions (Å) a = 47.5, b = 67.0, c = 110.3
Wavelength (Å) 0.9790
Resolution (Å) 36.8–2.0 (2.11–2.00)
Rmerge 0.106 (0.389)
I/σI 10.8 (4.0)
Completeness (%) 98.1 (97.5)
Redundancy 6.9 (6.6)
FlgG20 Rod (EMD-6683) Hook (EMD-1647)
Resolution range (Å) 36.6–2.0 (2.08–2.00) 7.4 7.1
   No. of reflections working 22,747 (2448)
   No. of reflections test 1217 (124)
Rw (%) 20.0 (24.8)
Rfree (%) 22.9 (31.8)
   No. of protein atoms 2264
   No. of solvent atoms 192
B-factors
   Protein atoms 37.0
   Solvent atoms 38.5
Map correlation coefficient 0.729 0.713
Root mean square deviation bond length (Å) 0.002 0.03 0.00
Root mean square deviation bond angle (°) 0.537 0.73 0.59
Ramachandran plot (%)
   favored 98.0 93.0 94.3
   allowed 2.0 7.0 5.7
   outliers 0 0 0
Rotamer outliers (%) 0.4 9.27 7.14
All atom clash score 7.99 4.80

Values in parentheses are for the highest resolution shell. Rw = ∑ || Fo | − | Fc ||/∑ | Fo |, Rfree = ∑ || Fo | − | Fc ||/∑ | Fo |.