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. 2015 Dec 14;21:63–70. doi: 10.1007/s00775-015-1313-z

Table 1.

Data collection and refinement statistics

Space group P3121
Unit cell (Å) 58.62, 58.62, 208.41
Data collection statistics*
 Resolution (Å) 36.36–1.27 (5.7–1.27)
 R merge 0.033 (0.704)
 I/σI 19.4 (2.1)
 Completeness (%) 98.4 (93.9)
 Redundancy 5.4 (4.9)
 Wilson B value (Å2) 18.8
Refinement
 Resolution (Å) 36.36–1.27
 No. of reflections 103,499
 No. of reflections for Rfree 5440
 R/R free (%) 13.61/15.93
 RMSD from standard bond length/angles (Å/°) 0.01/1.47
 Average B value (Å2)
 Protein 26 (2395 atoms)
 Waters 38 (284 atoms)
 Chain B (Ligands) 45 (21 atoms)
 Chain C (sugar molecules) 40 (107 atoms)
 Ramachandran statistics (%)
 Favoured 98
 Allowed 2
 Outliers 0

* Figures in parentheses are for the highest resolution shell