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. 2017 Jan 6;8:14033. doi: 10.1038/ncomms14033

Table 1. Data collection and refinement statistics.

  EcoDMT   EcoDMT Se-Met  
Data collection
 Space group C2   C2  
 Cell dimensions
  a, b, c (Å) 149.2, 81.7, 96.2   148.4, 80.9, 96.1  
  α, β, γ (°) 90, 107.6, 90   90, 107.3, 90  
    Peak Inflection Remote
  Wavelength (Å) 1.0 0.9794 0.9796 0.9173
  Resolution (Å) 50–3.3 (3.4–3.3)* 50–3.6 (3.7–3.6) 50–3.6 (3.7–3.6) 50–3.6 (3.7–3.6)
  Rmerge (%) 4.9 (157) 6.4 (109.2) 6.1 (125.2) 6.3 (144.4)
  CC½ (%) 99.8 (87.4) 99.9 (85.5) 99.9 (79.9) 99.9 (73.0)
  II 26.6 (1.8) 12.9 (1.7) 13.3 (1.5) 12.9 (1.3)
  Completeness (%) 99.7 (99.5) 99.8 (99.9) 99.8 (100.0) 99.8 (99.9)
  Redundancy 13.6 (14.3) 7.1 (7.4) 7.1 (7.3) 7.1 (7.4)
         
Refinement
 Resolution (Å) 12–3.3      
 No. Reflections 16,390      
Rwork/Rfree (%) 23.2/27.7      
 No. atoms
  Protein 3,780      
  Ligand/ion 33      
  Water      
B factors
  Protein 181.6      
  Ligand/ion 179.8      
 r.m.s. deviations
  Bond lengths (Å) 0.002      
  Bond angles (°) 0.52      

*Values in parentheses are for highest-resolution shell.