Table I.

Data collection, refinement, and model statistics

Statistics Value 
Data collection statistics  
Space group P3221 
Unit cell dimensions (Å) a = b = 130.256, c = 305.982 
Resolution range (Å) 50–2.9 
Completeness (%) 99.2 (98.5) 
Number of unique reflections 66,702 (6,515) 
Redundancy 2.9 (2.2) 
Rsym (%)a 8.8 (100) 
I/σ 10.5 (100) 
Wavelength (Å) 1.0332 
Refinement statistics  
Resolution range (Å) 20–2.9 
Rfactor (work set) (%)b 24.4 
Rfactor (free set) (%) 28.7 
Mean B factors (Å239.1 
Atoms in the model 13,027 
Number of GlcNAc 14 
Number of Ca2+ 
Model statistics (RMSD from ideality)  
Bond lengths (Å) 0.006 
Bond angles (°) 1.086 
Statistics Value 
Data collection statistics  
Space group P3221 
Unit cell dimensions (Å) a = b = 130.256, c = 305.982 
Resolution range (Å) 50–2.9 
Completeness (%) 99.2 (98.5) 
Number of unique reflections 66,702 (6,515) 
Redundancy 2.9 (2.2) 
Rsym (%)a 8.8 (100) 
I/σ 10.5 (100) 
Wavelength (Å) 1.0332 
Refinement statistics  
Resolution range (Å) 20–2.9 
Rfactor (work set) (%)b 24.4 
Rfactor (free set) (%) 28.7 
Mean B factors (Å239.1 
Atoms in the model 13,027 
Number of GlcNAc 14 
Number of Ca2+ 
Model statistics (RMSD from ideality)  
Bond lengths (Å) 0.006 
Bond angles (°) 1.086 

RMSD, root mean square deviation. Values in parentheses are for the highest resolution shell (0.1 Å).

a

Rsym = Σ|I<I>|/ΣI, where I is the observed intensity and <I> is the mean intensity from multiple observations of symmetry-related reflections.

b

Rfactor = Σhkl|Fo(hkl) − Fc(hkl)|/Σhkl Fo(hkl).

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