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. 2016 Oct 7;7:12928. doi: 10.1038/ncomms12928

Table 2. Data collection and refinement statistics.

Agrobacterium radiobacter strain K84AgnB2 LeuRS+tRNALeu+Leu-AMS
Data collection
 Space group P21
 Cell dimensions  
  a, b, c (Å) 169.91, 50.32, 170.52
  α, β, γ (°) 90.00, 93.48, 90.00
 Resolution (Å)* 50-2.1 (2.10-2.20)
  Rsym 7.5 (65.2)
  I/σI 10.6 (2.0)
 Completeness (%) 99.5 (99.8)
 Redundancy 3.7 (3.7)
   
Refinement
 Resolution (Å) 48.6-2.1 (2.15-2.10)
 No. of reflections work/free 160,330/8,487
Rwork/Rfree 0.194 (0.309)/0.237 (0.331)
No. of atoms  
  Protein [6,307]A, [6,141]B
  tRNALeu [1,702]C, [1,721]D
  Ligand 62 [2 × Leu-AMS]
  Water/SO4−2 871/25 [5 × SO4−2]
  Mn2+ 2
B-factors  
  Protein [52.3]A, [48.6]B
  tRNALeu [57.7]C, [54.9]D
  Ligand [27.8]E, [26.6]F
  Water/SO4−2 44.4/86.2
  Mn2+ 87.3
 RMS deviations  
  Bond lengths (Å) 0.016
  Bond angles (°) 1.736

Values in brackets correspond to averages of the corresponding chain, indicated as superscript.

*Values in parentheses are for the highest-resolution shell.