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. 2003 Mar;12(3):426–437. doi: 10.1110/ps.0233503

Table 3.

Refinement statistics

Number of reflections used (F > 0σ) 62541
R-factor, 90% of all data 20.3%
Rfree, 10% of all data 24.1%
Total number of atoms 6206
Number of protein atoms 5610
Number of cofactor atoms 192
Number of sulfate ions 4
Number of water molecules 504
r.m.s. deviation:
    Bonds 0.006 Å
    Angles 1.3°
    Dihedrals 23.4°
Average B-factor: (Å2)
    Protein atoms 25.4
    Cofactor atoms 75.9
    Water atoms 31.4
Estimated error based on crossvalidated σA plots 0.20 Å