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. 2014 Aug 12;9(8):e104914. doi: 10.1371/journal.pone.0104914

Table 1. Crystallographic data collection and refinement statistics.

Unit cell dimensions (Å) a = 39.089 b = 65.677 c = 105.689, α = β = γ = 90°
Resolution (Å) 30.00 −1.97 (2.02–1.97)
Space group P22121
Temp (K) 100
Redundancy 6.4 (5.8)
Collected Reflections 123113
Unique reflections 19576
R sym (%) 0.052 (0.340)
I/sigma 34.74 (4.87)
R factor (%) 20.05
R free (%) 23.68
RMS bonds (Å) 0.0049
RMS angle (°) 1.260
% Completeness 99.3 (95.3)
Wilson B-Factor (Å2) 29.8
Average B Value (Å2)
Chain A 34.946
Chain B 35.750
Chain C (peptide) 27.106
Chain D (peptide) 28.446
Water 37.263
Number of Solvent Molecules 85
Ramachandran Data
Favoured Region (%) 94.6
Additionally Allowed Region (%) 5.4
Generously Allowed Region (%) 0
Disallowed Region (%) 0

Parameters for highest resolution bin given in parenthesis.