Table 2. Crystallographic data and refinement statistics.
| Data set | ppSpry2-Cbl | ppEGFR-Cbl |
| Data collection * | ||
| Cell parameters (Å) | 122.09, 122.09, 55.69 | 122.77, 122.77, 55.43 |
| Space group | P6 | P6 |
| Resolution range (Å) | 50–2.2 (2.28–2.20) | 50–2.06 (2.13–2.06) |
| Wavelength (Å) | 1.5418 | 1.5418 |
| Observed reflections | 217204 | 377642 |
| Unique reflections | 24185 | 29542 |
| Completeness (%) | 99.8 (99.5) | 99.7 (98.6) |
| Overall I/σI | 16.9 (3.47) | 16.6(2.64) |
| Rsym a (%) | 0.089 (0.436) | 0.115(0.399) |
| Solvent content (%) | 61% | 60% |
| Refinement statistics | ||
| Resolution range (Å) | 50–2.2 | 20–2.1 |
| Rwork b (no. of reflections) | 0.179 (21715) | 0.188 (25131) |
| Rfree c (no. of reflections) | 0.224 (1235) | 0.221 (1425) |
| RMSD bond lengths (Å) | 0.026 | 0.024 |
| RMSD bond angles (deg) | 2.118 | 1.760 |
| No. of protein atoms/ligand atoms/water molecules | 2435/91/162 | 2435/100/314 |
| B-factors (Å2) | ||
| Average B-factors of protein atoms | 25.38 | 31.42 |
| rms B-factor of protein atoms | 2.02 | 1.85 |
| Average B-factor of ligand atoms | 31.48 | 39.70 |
| rms B-factor of ligand atoms | 3.06 | 1.89 |
| Ramachandran plot | ||
| Most favored regions (%) | 97.3 | 98.0 |
| Generously allowed regions (%) | 2.0 | 2.0 |
| Disallowed regions (%) | 0.7 | 0.0 |
a
Rsym = Σ|Ii -<I>|/Σ|Ii| where Ii is the intensity of the ith measurement, and <I> is the mean intensity for that reflection.
b
Rwork = Σ| Fobs - Fcalc|/Σ|Fobs| where Fcalc and Fobs are the calculated and observed structure factor amplitudes, respectively.
c
Rfree = as for Rwork, but for 5.0% of the total reflections chosen at random and omitted from refinement for all datasets.
*The highest resolution bin statistics were given in the parenthesis.