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. Author manuscript; available in PMC: 2009 Dec 11.
Published in final edited form as: Structure. 2001 Nov;9(11):1095–1106. doi: 10.1016/s0969-2126(01)00675-x

Table 4.

Structure Refinement Statistics

Resolution range of data included (Å) 50.0-2.0
I/sigma cutoff 0
Number of reflections in working set (Rwork) 74,997
Number of reflections in test set (Rtest) 3,681
Number of protein atoms in the asymmetric unit 3,934
Number of water molecules in the asymmetric unit 252
Rwork (%) 23.1
Rfree (%) 24.9
Rmsd from ideal stereochemistry
    Bond lengths (Å) 0.006
    Bond angles (°) 1.5
    Dihedrals (°) 24.1
    Impropers (°) 0.84
    Mean B factor (Å2) 26.7
Ramachandran plot:
    Residues in most-favored region (%) 95.3
    Residues in additionally allowed regions (%) 4.7