Table 1. Data collection and refinement statistics
Data collectionCbl‐TKB Spry2Cbl‐TKB Spry4Cbl‐TKB EGFRaCbl‐TKB SykCbl‐TKB Met
Resolution (Å)50.00–1.98 (2.05–1.98)50.00–2.00 (2.07–2.00)50.00–2.60 (2.69–2.60)50.00–1.45 (1.50–1.45)50.00–1.35 (1.40–1.35)
 Space groupP6P6P21P21P21
 Unit cell (Å)a=122.26, b=122.26, c=54.71a=122.85, b=122.85, c=55.54a=63.86, b=110.17, c=55.82, β=89.94°a=63.79, b=104.81, c=52.78, β=89.83°a=63.18, b=104.80, c=52.60, β=90.41°
 Molecules/a.s.u.11222
 Reflections (total/unique)528 974/32 750566 291/31 35259 344/21 945181 855/36 701930 080/142 157
 Rsym (%)b8.3 (34.6)5.2 (15.1)10.9 (33.5)7.5 (25.4)10.9 (23.6)
 Completeness (%)c99.9 (99.1)96.3 (82.1)91.9 (83.0)92.7 (66.0)95.0 (87.2)
 Average redundancy16.2 (8.2)18.1 (13.7)2.7 (2.0)5.8 (3.3)6.5 (4.9)
Refinementd
 Resolution (Å)20.00–2.0020.00–2.0020.00–2.6020.00–1.4520.00–1.35
Rwork (%)e22.40 (29 469)20.13 (29 166)23.04 (15 455)22.41 (95 507)22.52 (127 952)
Rfree (%)f26.28 (2221)24.24 (2128)27.48 (2304)23.84 (2176)23.98 (2208)
Average B‐factors (Å2) (no. of atoms)
  Cbl‐TKB29.71 (2489)40.11 (2489)33.65 (4980)21.79 (4994)17.21 (4994)
  Peptide25.94 (74)48.82 (63)35.29 (190)33.02 (162)22.76 (140)
  Water42.86 (297)53.97 (355)32.18 (235)30.71 (575)26.66 (686)
r.m.s.d bond lengths (Å)0.0090.0100.0090.0060.006
r.m.s.d bond angles (deg)1.241.361.321.101.11
Ramachandran plotg
 Most favored regions (%)89.890.581.389.389.1
 Additionally allowed regions (%)9.89.116.910.010.1
 Generously allowed regions (%)0.40.41.80.70.7
 Disallowed regions (%)0.00.00.00.00.0
  • Values in parentheses indicate statistics for the highest‐resolution shells.

  • a NCS restraint was kept throughout the refinement of Cbl–TKB EGFR.

  • b Rsym=∣Ii−〈I〉∣/∣Ii∣ where Ii is the intensity of the ith measurement, and 〈I〉 is the mean intensity for that reflection.

  • c Completeness=(number of independent reflections)/(total theoretical reflections).

  • d For all models, reflections with II was used in the refinement.

  • e R factor=100 × ∑∣FPFP(calc)∣/∑ FP.

  • f R‐free was calculated with approximately the same number of reflections in all the complexes' test set.

  • g Statistics for the Ramachandran plot from an analysis using PROCHECK (Laskowski et al, 1993).