Table 1

Data collection and refinement statistics

AblK:STI571AblK:PD173955
Diffraction data
 Resolution (Å)30–2.1 (2.18–2.10)85–2.60 (2.69–2.60)
 Measured reflections (#)195,31690,487
 Unique reflections (#)37,00425,520
 Data completeness (%)99.0 (97.1)99.0 (99.4)
 Rsym (%)a4.1 (27.0)8.2 (36.0)
Refinement
R-factor/R-free23.1/26.221.1/25.4
 Free R test set size (#/%)2,917/8.22,469/9.9
 No. of protein atoms4,4584,424
 No. of heterogen atoms8058
 No. of solvent atoms172140
 rmsdb bond lengths (Å)0.0050.008
 rmsd bond angles (°)1.201.40
 rmsd B-factors (Å2) (main chain/side chain)2.27/3.232.32/3.93
  • a Rsym = ∑ | I − 〈I〉 | / ∑ I, where I is the observed intensity of a reflection, and 〈I〉 is the average intensity obtained from multiple observations of symmetry-related reflections.

  • b rmsd, root mean squared deviation.