Table 2.
Crystallographic data and refinement statistics
| X-ray diffraction data | |
|---|---|
| Space group | C2 |
| Unit Cell Dimensions: a, b, c (Å) α, β, γ (°) | 162.0, 66.4, 93.6 90, 98.2, 90 |
| Wavelength (Å) | 1.0088 |
| Resolution Range (Å) | 19.34 - 2.75 (2.90 - 2.75)* |
| Rsym (%) | 7.0 (36.2) |
| I/σ | 19.92 (4.42) |
| Measured reflections | 64394 (9470) |
| Unique reflections | 22267 (3362) |
| Redundancy | 2.89 (2.82) |
| Completeness (%) | 86.0 (88.8) |
| Refinement | |
| Resolution (Å) | 19.34 - 2.75 |
| Rcryst/Rfree (%) | 23.8/29.2 |
| Atoms (protein/ligand/solvent) | 5469/56/243 |
| Rmsd bond length (Å) | 0.012 |
| Rmsd bond angles (°) | 1.6 |
| Average B-factors (Å2, main chain/side chain) | 66.4 |
* Data in parentheses represent the highest resolution shell. Deposited under PDB 3L1C.