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. 2021 Jan 15;87(3):e02438-20. doi: 10.1128/AEM.02438-20

TABLE 3.

Data collection and refinement statistics for AoRut (PDB ID: 6LA0)a

Parameter Result
Data collection statistics
 Space group P21
 Cell parameters a=47.91 b=169.99 c=50.49 β=115.62
 Beamline PF-BL5A
 Wavelength (Å) 1.0000
 Resolution (Å)b 20.0–1.75 (1.85–1.75)
 Completeness (%) 98.9 (95.4)
 I/σ (I) 13.28 (2.06)
Rmerge 0.097 (0.747)
Rpim 0.041 (0.379)
 CC1/2 0.998 (0.803)
 Average redundancy 5.8 (5.5)
Refinement statistics
 Resolution range (Å) 19.6 to 1.75
 No. of reflections used (free) 72,673 (3,563)
R factor 0.196
Rfreec 0.229
 RMSD
  Bonds (Å) 0.007
  Angles (°) 0.815
 Average B factor (Å2) 23.1
Ramachandran plot statistics
 Most favored (%) 98
 Additionally allowed (%) 2
 Generally allowed (%) 0
a

Values in parentheses represent the highest resolution shell unless otherwise indicated. CC1/2, 50% correlation coefficient.

b

The highest-resolution shell is shown in parentheses.

c

Rfree is R with 5% of reflections sequestered before refinement.