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. 2016 Oct 19;6:35710. doi: 10.1038/srep35710

Table 1. Data collection and refinement statistics.

DATA COLLECTION  
Space group P21
Cell dimensions
  a, b, c (Å) 82.7, 159.8, 177.6
  β(°) 93.7
Resolution (Å) 47.51 - 2.9
Rpim/Rmerge 0.109(0.490)/0.184(0.785)
CC1/2 0.983 (0.534)
Mean(I)/sd(I) 5.4 (1.6)
Completeness (%) 98.3 (97.3)
Redundancy 3.6 (3.2)
REFINEMENT
Resolution (Å) 2.9
Total reflections 364578 (31677)
Unique reflections 100139 (9865)
Rwork/Rfree 0.2244/0.2869
No. atoms
  Protein 29498
  Water 63
  Ligands 440
Mean B-factors
  Protein (Å2) 42.3
  Water (Å2) 16.1
  All Ligands (Å2) 48
  REA_C (Å2) 26
  NAD_C (Å2) 19
  REA_D (Å2) 24
  NAD_D (Å2) 28
R.m.s deviations
 Bond lengths (Å) 0.014
 Bond angles (°) 1.48
Ramachandran statistics
 Residues in favoured region (%) 95.6
 Residues in allowed region (%) 4.0
 Residues in outlier region (%) 0.3