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. Author manuscript; available in PMC: 2013 Feb 1.
Published in final edited form as: Bioorg Chem. 2011 Sep 17;40(1):79–86. doi: 10.1016/j.bioorg.2011.09.002

Table 1.

Data collection and refinement statistics for DAH7PSAp.

A. Diffraction Data
Resolution (Å) 20.0-2.3
Unique reflections 45666
Completeness (%) 96.5 (89.1)
Multiplicity 7.5 (7.2)
<I>/<σ(I)> 19.2 (6.2)
Rmerge (%) 9.3 (30.5)
Outermost shell (Å) 2.38-2.30

B. Refinement
rmsd bond length (Å) 0.019
rmsd bond angles (deg.) 1.67
Average B-factor, protein (Å2) 36.1
Rwork/Rfree (%) 17.3/21.8
Test set (%) 5.1