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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.