Table 2.

Crystallographic data collection statistics


Wavelength, Å  

0.9795  
Beamline   ID23-1* 
Crystal to detector distance, mm   275.91  
Space group  P212121 
Unit cell parameters, Å  
   A   41.90  
   B   62.80  
   C   122.80  
Resolution range, Å   19.88-2.32  
R   8.7  
I/Sigma (I)   14.08 (3.13) 
Completeness, %   86.9 (56.7) 
Redundancy   6.024 (3.7) 
Final model statistics (refinement)  
   Resolution limits, Å   19.88-2.32 (2.375-2.315) 
   No. reflections used for refinement   12 211  
   No. reflections in the test set   645  
   R, %   21.35  
   Rfree, %   25.55  
   RMSD bonds/angles, Å/°   0.012/1.463  
   No. residues in Ramanchandran   244  
   Residues in most favored regions, %   87.7  
   Residues in additional allowed regions, %   12.3  
   Residues in generously allowed regions, %   0  
   No. protein atoms   1 537  
   No. water atoms   28  
   Average B factor, Å2  58.354  
   B factor from Wilson plot, Å2
 
52.0
 

Wavelength, Å  

0.9795  
Beamline   ID23-1* 
Crystal to detector distance, mm   275.91  
Space group  P212121 
Unit cell parameters, Å  
   A   41.90  
   B   62.80  
   C   122.80  
Resolution range, Å   19.88-2.32  
R   8.7  
I/Sigma (I)   14.08 (3.13) 
Completeness, %   86.9 (56.7) 
Redundancy   6.024 (3.7) 
Final model statistics (refinement)  
   Resolution limits, Å   19.88-2.32 (2.375-2.315) 
   No. reflections used for refinement   12 211  
   No. reflections in the test set   645  
   R, %   21.35  
   Rfree, %   25.55  
   RMSD bonds/angles, Å/°   0.012/1.463  
   No. residues in Ramanchandran   244  
   Residues in most favored regions, %   87.7  
   Residues in additional allowed regions, %   12.3  
   Residues in generously allowed regions, %   0  
   No. protein atoms   1 537  
   No. water atoms   28  
   Average B factor, Å2  58.354  
   B factor from Wilson plot, Å2
 
52.0
 

I/Sigma (I) indicates reflection intensity divided by its measurement error; R, residual R=(Σ||F(obs)|–k|F(calc)||)/Σ|F(obs)|;Rfree, R for the 5% of reflections not included in the refinement.

*

ESRF, Grenoble, France

The values in parentheses are given for the highest resolution bin

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