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Table 1 Crystallographic and data refinement statistics.

From: Inositol pentakisphosphate isomers bind PH domains with varying specificity and inhibit phosphoinositide interactions

  CPH/IP5(6)
Date Collection  
   Space group C2
   Unit-cell parameters (Å) a = 82.5, b = 47.6 and c = 87.6 α = β = γ = 90
   No. of molecules in asymmetric unit 3
   Resolution range (Å)a 50.00 - 1.65 (1.71-1.65)
   Unique reflections 39 679
   Data Redundancya 3.5 (2.5)
   Completeness (%)a 98.47 (91.4)
   I/σ(I)a 26.6 (2.4)
   R merge (%)a 3.9 (36.3)
Model and refinement  
   Resolution range (Å)a 87.71-1.75 (1.79-1.75)
   R work (%) 18.0
   R free (%) 24.3
   No. of reflections 31 402 (28 793 in working set and 2609 in test set)
   No. of waters 315
   r.m.s.d bond lengths (Å) 0.024
   r.m.s.d bond angles (°) 2.3
   Average B factor (Å2) 40.1
   PDB code 2I5C
  1. aData for the highest resolution shell are shown in parentheses.