Data collection and refinement statistics of the dataset of T-p53C-Y220C soaked with compound 1151 (PDB: 8A92). Values in parentheses indicate the respective value of the highest resolution bin.
| Compound 1151 (PDB: 8A92) | |
|---|---|
| Wavelength [Å] | 0.92 |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c [Å] | 65.1, 74.1, 105.2 |
| α, β, γ [°] | 90, 90, 90 |
| Resolution range [Å] | 50–1.37 (1.45–1.37) |
| Redundancy | 13.2 (13.3) |
| Completeness [%] | 100 (100) |
| Mean I/σ(I) | 14.4 (1.0) |
| R-meas [%] | 11.7 (256.8) |
| CC1/2 [%] | 99.9 (49.7) |
| Wilson B [Å2] | 22.8 |
| Resolution included [Å] | 43.68–1.37 |
| R work/Rfree [%] | 15.32/18.32 |
| Bond RMSD [Å] | 0.008 |
| Angle RMSD [°] | 0.99 |
| Ramachandran [%] (favored/allowed/outliers) | 98.98/1.02/0 |
| Rotamer outliers [%] | 1.43 |
| All-atom Clashscore | 1.44 |
| Average B factor [Å2] | |
| Overall | 22.34 |
| Protein | 20.03 |
| Ligand | 41.4 |
| Water | 35.58 |