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. 2016 Apr 26;7(2):e00492-16. doi: 10.1128/mBio.00492-16

TABLE 2 .

Data collection and refinement statistics for A. fumigatus FKBP12 structures

Parameter Apo A. fumigatus FKBP12 A. fumigatus FKBP12(P90G)-FK506 A. fumigatus FKBP12(V91C) dimer
Space group P212121 P212121 P65
Cell dimensions
    a, b, c (Å) 44.8, 50.8, 103.0 37.0, 51.1 55.6 136.8, 136.8, 33.0
    α, β, γ (°) 90.0, 90.0, 90.0 90.0, 90.0, 90.0 90.0, 90.0, 120.0
Resolution (Å) 45.6–2.3 37.6–2.0 44.8–3.2
Rmerge (%) 6.9 (36.6)a 5.7 (19.5) 10.4 (56.9)
I/σ‹I 18.5 (3.1) 19.7 (1.8) 8.9 (1.8)
Completeness (%) 98.7 (91.2) 90.3 (99.1) 99.9 (98.6)
Redundancy 4.2 (2.6) 5.2 (5.2) 4.6 (3.6)
Refinement
    Resolution (Å) 45.6–2.3 37.6–2.0 44.8–3.2
    Rwork/Rfree (%) 20.5/25.8 16.6/22.5 20.1/26.9
No. of atoms
    Protein 1,706 862 1,692
    Water 115 147 0
RMSD
    Bond length (Å) 0.002 0.007 0.011
    Bond angle (°) 0.72 1.22 2.09
a

Values in parentheses are for the highest-resolution shell.