TABLE 1 

Data collection and refinement statistics for C. albicans FKBP12 structures

ParameterC. albicans FKBP12 apo form:C. albicans FKBP12(P104G)-FK506Apo C. albicans FKBP12(P104G)
123
Space groupC2P21212P1C2P21
Unit cell dimensions
    a, b, c (Å)99.5, 43.0, 70.735.8, 80.7, 94.935.9, 38.6, 50.4115.4, 84.2, 116.751.2, 44.0, 56.99
    α = β = γ (°)90.0, 128.2, 90.090.0, 90.0, 90.078.6, 69.7, 79.390.0, 109.8, 90.090.0, 115.0, 90.0
Resolution (Å)26.0-2.440.9-2.363.8-1.9926.1-2.945.3-2.0
Rmerge (%)10.1 (19.7)a6.4 (55.9)9.1 (31.2)12.4 (38.7)4.5 (17.3)
I/σ‹I13.2 (6.3)23.6 (2.0)5.8 (2.0)10.7 (2.1)20.8 (2.2)
Completeness (%)98.2 (93.8)98.8 (92.3)85.2 (85.2)84.3 (37.6)99.0 (89.8)
Redundancy3.3 (2.4)3.0 (2.2)1.6 (1.6)2.8 (1.4)3.3 (2.9)
Refinement
    Resolution range (Å)25.96–2.440.9–2.363.8–1.9926.1–2.945.3–2.0
    Rwork/Rfree (%)17.7/22.217.9/22.822.5/25.424.4/28.518.0/19.5
No. of atoms
    Protein1,7331,8082,0566,7693,788
    Water1296716664161
RMSD
    Bond length (Å)0.0040.0080.0020.0080.003
    Bond angle (°)0.861.421.291.590.88
  • a Values in parentheses are for the highest-resolution shell.