TABLE 3 

Data collection and refinement statistics for C. glabrata FKBP12 structures

ParameterApo C. glabrata FKBP12C. glabrata FKBP12-FK506
Space groupI422P63
Cell dimensions
    a, b, c (Å)76.44, 76.44, 87.077.8, 77.8, 53.6
    α, β, γ (°)90.0, 90.0, 90.090.0, 90.0, 120.0
Resolution (Å)43.5–2.6542.0–1.30
Rmerge (%)12.0 (36.6)a4.6 (41.4)
I/σ‹I11.8 (2.8)11.7 (1.7)
Completeness (%)98.7 (47.3)97.7 (93.3)
Redundancy3.3 (2.2)3.6 (2.0)
Refinement
    Resolution (Å)43.5–2.6542.0–1.30
    Rwork/Rfree (%)21.4/26.015.3/16.4
No. of atoms
    Protein873873
    Water17246
RMSD
    Bond length (Å)0.0030.025
    Bond angle (°)0.732.14
  • a Values in parentheses are for the highest-resolution shell.