Table 1. X-ray Data Collection and Refinement Statistics.
| construct | FGFR4Kapo | FGFR4K-Ponatinib | FGFR4KV550L | FGFR4KV550L-FIIN-2 |
|---|---|---|---|---|
| data collection | ||||
| resolution (Å) | 50.0–1.50 (1.53–1.50) | 50–1.90 (1.93–1.90) | 50–1.68 (1.71–1.68) | 50–2.2 (2.24–2.20) |
| space group | P21 | P21 | P21 | R3 |
| unit cell parameters (Å, deg) | a = 42.384 | a = 42.722 | a = 42.671 | a = 139.599 |
| b = 61.336 | b = 61.593 | b = 61.472 | b = 139.599 | |
| c = 61.084 | c =60.311 | c = 61.819 | c = 49.660 | |
| α = 90.00 | α = 90.00 | α = 90.00 | α = 90.00 | |
| β = 99.01 | β = 97.94 | β = 99.43 | β = 90.00 | |
| γ = 90.00 | γ = 90.00 | γ = 90.00 | γ = 120.00 | |
| content of the asymmetric unit | 1 | 1 | 1 | 1 |
| measured reflections (#) | 348260 | 182746 | 243115 | 88774 |
| unique reflections (#) | 49375 | 24319 | 34654 | 18138 |
| data redundancy | 7.1 (6.0) | 7.5 (7.7) | 7.0 (5.4) | 4.9 (2.4) |
| data completeness (%) | 100 (100) | 99.2 (98.1) | 96.6 (94.2) | 99.1 (90.1) |
| Rsym (%) | 5.8 (19.5) | 7.5 (30.3) | 5.2 (16.7) | 10.2 (34.4) |
| I/sig | 53.6 (8.6) | 41.8 (7.4) | 50.2 (10.0) | 13.5 (1.7) |
| refinement | ||||
| R factor/R free | 22.2/24.8 | 17.8/21.2 | 23.5/26.9 | 19.3/23.4 |
| number of protein atoms | 2204 | 2317 | 2242 | 2139 |
| number of nonprotein/solvent atoms | 10 | 44 | 5 | 47 |
| number of solvent atoms | 0 | 49 | 0 | 0 |
| RMSD bond length (Å) | 0.005 | 0.015 | 0.006 | 0.008 |
| RMSD bond angle (deg) | 1.04 | 1.61 | 1.00 | 1.23 |
| PDB ID | 4QQT | 4QRC | 4QQJ | 4QQ5 |
a
Numbers in parentheses refer to the highest resolution shell.
b
Rsym = Σ|I – I|ΣI, where I is the observed intensity of a reflection, and I is the average intensity of all the symmetry related reflections.