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Table 1 Statistics of data collection, refinement and quality of the structure

From: Structure of a lectin from Canavalia gladiata seeds: new structural insights for old molecules

  CGL CGL-αMM
Data collection   
Total number of observations 238,197 483,177
Total number of unique observations 57,503 61,808
Rmerge (%) 8.8 (34.4) 7.3 (35.4)
Resolution limit (Å) 42.64-2.3 51.99-2.31
Completeness (%) 97.87 (98.2) 99.1 (94.5)
Multiplicity 3.9 4.5
(I)/σ 7.2 (2.2) 8.9 (2.0)
Wavelength (Å) 1.431 1.431
Space group C2221 C2221
Cell parameters (Å) a = 100.90 a = 100.91
  b = 115.35 b = 115.75
  c = 241.08 c = 241.62
Refinement   
Resolution range (Å) 10-2.3 9.99-2.31
Rfactor (%) 18.38 16.87
Rfree (%) 23.28 22.31
Number amino acid residues in biological assembly 948 948
Number of water molecules 432 448
RMS deviations from ideal values   
Bond lengths (Å) 0.021 0.026
Bond angles (degrees) 2.019 2.223
Temperature factors   
Average B value for whole protein chain (Å 2) 20.6 20.1
Ramachandran plot   
Residues in most favored regions 84.0 86.2
Residues in additional allowed regions 15.3 13.2
Residues in generously allowed regions 0.7 0.6
  1. *Values in parenthesis represent the high resolution shell.