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Table 2 Data collection and refinement statistics

From: Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum

Parameter  
Data collection
 Space group P 21 21 2
 a,b,c (Å)
 α,β,γ
96.00, 101.07, 58.98
90.00, 90.00, 90.00
 Wavelength 0.979
 Resolution (Å) 101.07–1.43 (1.47–1.43)a
 Unique reflections 100,821 (5353)
 Completeness (%) 94.9 (69.2)
 Redundancy 7.3 (6.8)
 Mean I/sigma (I) 16.0 (2.3)
 R bmerge 0.069 (0.786)
Refinement
 R work /R free (%) 16.01/19.30
No. atoms
 Proteins 5182
 Ligands 40
 waters 834
B-factors
 Average B-factor 21.00
 Proteins 19.00
 Ligands 49.50
 Solvent 32.30
r.m.s.d.
 Bond length (Å) 0.017
 Bond angles 1.601
Ramachandran statistics
 Favored (%) 98
 Outliers (%) 0
  1. aNumbers in parentheses refer to data in the highest resolution shell
  2. bRmerge = Σ hkl Σ i |I(hkl) i - < I(hkl) > |/ΣhklΣi < I(hkl) i >