Table 2.

Data collection and refinement statistics

 ELIC + cysteamine + lidocaine ELIC + cysteamine + brominated analog ELIC + cysteamine + brominated analog 
Data collection Space group P21 P21 P21 
Wavelength (Å) 0.97872 0.97872 0.91838 
Cell dimensions    
a, b, c (Å) 104.96, 266.74, 110.60 105.58, 267.78, 110.43 105.89, 267.96, 110.29 
α, β, γ (°) 90, 109.15, 90 90, 110.82, 90 90, 109.53, 90 
Resolution (Å) 50–3.65 (3.78–3.65) 50–4.23 (4.38–4.23) 50–4.82 (4.99–4.82) 
Rsym 0.123 (0.653) 0.112 (>1.0) 0.103 (0.716) 
Rmeas 0.134 (0.745) 0.122 (>1.0) 0.122 (0.856) 
Rpim 0.051 (0.348) 0.069 (0.989) 0.065 (0.472) 
I/σ(I) 13.6 (1.6) 8.6 (1.2) 10.4 (1.1) 
Completeness (%) 98.9 (77.9) 97.9 (96.7) 96.3 (94.0) 
Multiplicity 6.8 (3.5) 5.9 (4.9) 3.4 (2.9) 
Refinement    
Resolution (Å) 49.58–3.65 48.75–4.23  
No. unique reflections 57,179 18,141  
Rwork 0.235 0.256  
Rfree 0.239 0.280  
Rmsd values    
Bond lengths (Å) 0.006 0.003  
Bond angles (°) 1.18 0.831  
No. atoms    
Protein 25,050 25,050  
Ligand 36 80  
Ramachandran plot    
Favored (%) 88.3 87.6  
Outliers (%) 3.5 3.3  
 ELIC + cysteamine + lidocaine ELIC + cysteamine + brominated analog ELIC + cysteamine + brominated analog 
Data collection Space group P21 P21 P21 
Wavelength (Å) 0.97872 0.97872 0.91838 
Cell dimensions    
a, b, c (Å) 104.96, 266.74, 110.60 105.58, 267.78, 110.43 105.89, 267.96, 110.29 
α, β, γ (°) 90, 109.15, 90 90, 110.82, 90 90, 109.53, 90 
Resolution (Å) 50–3.65 (3.78–3.65) 50–4.23 (4.38–4.23) 50–4.82 (4.99–4.82) 
Rsym 0.123 (0.653) 0.112 (>1.0) 0.103 (0.716) 
Rmeas 0.134 (0.745) 0.122 (>1.0) 0.122 (0.856) 
Rpim 0.051 (0.348) 0.069 (0.989) 0.065 (0.472) 
I/σ(I) 13.6 (1.6) 8.6 (1.2) 10.4 (1.1) 
Completeness (%) 98.9 (77.9) 97.9 (96.7) 96.3 (94.0) 
Multiplicity 6.8 (3.5) 5.9 (4.9) 3.4 (2.9) 
Refinement    
Resolution (Å) 49.58–3.65 48.75–4.23  
No. unique reflections 57,179 18,141  
Rwork 0.235 0.256  
Rfree 0.239 0.280  
Rmsd values    
Bond lengths (Å) 0.006 0.003  
Bond angles (°) 1.18 0.831  
No. atoms    
Protein 25,050 25,050  
Ligand 36 80  
Ramachandran plot    
Favored (%) 88.3 87.6  
Outliers (%) 3.5 3.3  

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