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. 2016 Nov 18;7:13376. doi: 10.1038/ncomms13376

Table 1. Data collection and refinement statistics (molecular replacement).

  D2-06-N2 5D1Q D4-30-N2 5D1X D4-10-N1 5D1Z
Data collection
 Space group P 42 21 2 P 41 P 2 21 21
 Cell dimensions
  a, b, c (Å) 121.3, 121.3, 193.2 111.3, 111.3, 105.2 115.2, 147.1, 164.9
  α, β, γ (°) 90, 90, 90 90, 90, 90 90, 90, 90
 Resolution (Å) 47.33–3.22 49.18–3.21 24.96–3.17
Rsym or Rmerge 9.6 (53.6) 11.1 (46.3) 15.6 (56.8)
II 20.4 (3.4) 10.8 (1.97) 7.6 (1.95)
 Completeness (%) 98.8 98.9 97.9
 Redundancy 6.6 (6.6) 3.3 (3.1) 3.5 (3.4)
       
Refinement
 Resolution (Å) 3.22 3.21 3.17
 No. reflections 22,680 19,661 45,212
Rwork/Rfree 21.7/28.1 27.1/30.9 23.7/28.6
No. atoms
  Protein 7,583 6,684 15,717
  Ligand/ion
  Water
B-factors
  Protein 93.787 87.022 49.474
  Ligand/ion
  Water
R.m.s. deviations
  Bond lengths (Å) 0.012 0.009 0.012
  Bond angles (°) 1.697 1.465 1.539

One crystal used for each structure. *Values in parentheses are for highest-resolution shell.