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. 2012 Oct 5;7(10):e46694. doi: 10.1371/journal.pone.0046694

Table 1. X-ray data collection and refinement statistics.

Data collection
Space group P212121
Cell dimensions (Å) a = 36.77, b = 45.57, c = 82.50
Resolution limit (Å) 45.50–1.98 (2.09–1.98)
Completeness (%) 89.7 (92.4)
Redundancy 2.8 (3.8)
Mean II 11.1 (1.8)
R merge (%) 11.2 (50.6)
Refinement
Resolution range (Å) 30.0-1.98
No. of reflections 8009
R work/R free (%) 18.1/23.3
No. of atoms
Protein 1138
Zn2+ 1
Water 34
B-factors
Protein 25.90
Zn2+ 35.20
Water 41.99
R.m.s. deviations
Bond lengths (Å) 0.024
Bond angles (°) 2.07

Values in parentheses are for the highest-resolution shell.