Table 1 Table of crystallography.
c9 (4v1g)BDQ-bound c9 (4v1f)
Data processing
Wavelength (Å)0.99990.91747
Space groupR 3 :HR 3 :H
Cell dimensions
  a, b, c (Å)73.7, 73.7, 166.275.0, 75.0, 166.6
  α, β, γ (°)90, 90, 12090, 90, 120
Resolution (Å)36.8–1.55 (1.6–1.55)37.5–1.7 (1.76–1.7)
Number of observed reflections162,379 (11,775)392,443 (38,342)
Number of unique reflections48,446 (4,618)38,464 (3,832)
Redundancy3.4 (2.5)10.2 (10.0)
Completeness (%)99.2 (94.6)99.46 (99.38)
Rmrgd-F (%)4.5 (66.4)8.13 (58.33)
II13.83 (1.44)20.38 (4.82)
Refinement statistics
Resolution (Å)36.8–1.5537.5–1.7
Rwork/Rfree (%)15.66/17.8715.63/16.19
Number of atoms1,9632,091
  Protein1,8231,828
  Ligands60163
  Water8098
  B-factors32.924.90
  Protein30.5021.5
  Ligands93.556.9
  Solvent42.135.1
Root mean square deviations
  Bond length (Å)0.0200.007
  Bond angles (°)1.7651.09