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. 2010 Feb 2;285(16):11983–11990. doi: 10.1074/jbc.M109.092049

TABLE 2.

Crystallographic refinement statistics of the aldolase·SNX9 complex

Resolution 32.21 Å-2.2 Å
    Last shell 2.26 Å-2.2 Å
No. of reflections (working set) 86,911
No. of reflections (test set) 4,580
R-factora 0.1531
    Last shell 0.2268
Rfreeb 0.1894
    Last shell 0.2778

No. of protein residues 1,402
No. of ligand residues 52
No. of solvent molecules 1,715

Average B-factor
    Protein 22.2 Å2
    Solvent 37.4 Å2
    Ligand 41.8 Å2

Root mean square deviation from ideal geometry
    Bond lengths 0.01 Å
    Bond angles 0.97°

aRcryst = ΣhklFobs(hkl)| − |Fcalc(hkl)‖Σhkl|Fobs(hkl)|.

b The free R-factor is a cross-validation residual calculated by using 5% reflections, which were randomly chosen and excluded from the refinement.