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. 2001 May;10(5):1046–1055. doi: 10.1110/ps.50401

Table 1.

Data collection and refinement statistics

Space group P1 P31
Cell dimensions (Å) (°) a = 27.9 a = 49.7
b = 28.5 b = 49.7
c = 37.2 c = 36.5
α = 107.4 α = 90.0
β = 96.9 β = 90.0
γ = 104.6 γ = 120.0
Molecules/asymmetric unit 2 2
Resolution (Å) 1.8 2.0
Completeness (%) 94.0 99.7
Observed reflections 33871 24299
Unique reflections 9025 6795
Rmergea (%) 7.2 6.9
R-factorb (%) 20.2 18.9
R-free (%) 23.3 23.5
Number of protein atoms 970 963
Number of water molecules 94 92
Average B-value (Å2)
overall 20.8 24.6
main chain 19.2 23.9
side chain 22.3 25.4
R.m.s.d. bond lengths (Å) 0.007 0.016
R.m.s.d. bond angles (°) 1.38 1.85

a Rmerge = ∑|Ii − 〈I〉| Σ 〈I〉.

bR-factor = ∑|Fo = Fc|/∑Fo.