Table 2.

Data collection and refinement statistics

Crystal Wild type Triple mutant 
Wavelength (Å) 0.9778 0.9793 
Space group P21 P21 
Resolution (Å) 29.6-3.69 (3.80-3.70)a 56.5-3.5 (3.54-3.50)a 
Cell dimensions a = 115.8 Å; b = 100.6 Å; c = 141.6 Å; β = 97.0° a = 115.8 Å; b = 99.4 Å; c = 140.2 Å; β = 97.4° 
Number of measured reflections 117,235 313,049 
Number of unique reflections 34,273 37,951 
Completeness (%) 98.1 (90.0) 94.6 (69.5) 
Redundancy 3.4 (3.0) 8.2 (7.2) 
I/σ(I) 11.7 (1.2) 22.0 (1.4) 
Rmerge (%) 9.8 (82.0) 4.4 (111.4) 
R factor (%) 31.8 28.7 
R-freeb (%) 34.2 31.3 
RMSD from ideal values   
Bond lengths (Å) 0.010 0.004 
Bond angles (°) 1.28 1.48 
Ramachandran plot outliersc (%) 0.7 0.7 
Crystal Wild type Triple mutant 
Wavelength (Å) 0.9778 0.9793 
Space group P21 P21 
Resolution (Å) 29.6-3.69 (3.80-3.70)a 56.5-3.5 (3.54-3.50)a 
Cell dimensions a = 115.8 Å; b = 100.6 Å; c = 141.6 Å; β = 97.0° a = 115.8 Å; b = 99.4 Å; c = 140.2 Å; β = 97.4° 
Number of measured reflections 117,235 313,049 
Number of unique reflections 34,273 37,951 
Completeness (%) 98.1 (90.0) 94.6 (69.5) 
Redundancy 3.4 (3.0) 8.2 (7.2) 
I/σ(I) 11.7 (1.2) 22.0 (1.4) 
Rmerge (%) 9.8 (82.0) 4.4 (111.4) 
R factor (%) 31.8 28.7 
R-freeb (%) 34.2 31.3 
RMSD from ideal values   
Bond lengths (Å) 0.010 0.004 
Bond angles (°) 1.28 1.48 
Ramachandran plot outliersc (%) 0.7 0.7 
a

Values in parentheses refer to data in the highest resolution shell.

b

Based on 5% of the reflections

c

From MolProbity (Chen et al., 2010).

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