Table 1.
Data Collection and Refinement Statistics
|
Data Collection and Processing
| |
| Wavelength (Å) | 0.9795 |
| Unit Cell (Å, °) | a= 93.3, b= 121.2, c= 276.2, β=91.4° |
| Resolution (Å) | 30-1.9 (1.93-1.9) |
| Space Group | P21 |
| Total Reflections | 3046626 |
| Unique Reflections | 472053 |
| Mean I/σ(I) | 27.0 (3.0) |
| Rmerge (%) | 6.5 (40.3) |
| Completeness (%) | 98.3 (84.0) |
| Redundancy | 6.5 (4.6) |
|
| |
|
Refinement | |
| Reflections (work) | 471,961 |
| Reflections (test) | 5,212 |
| Atoms refined | 46,555 |
| Solvent atoms | 3,651 |
| Rwork/Rfree (%) | 20.1/17.0 |
| Rmsd in bond lengths (Å) | 0.007 |
| Rmsd in bond angles (°) | 1.269 |
Values in parentheses refer to the highest resolution shell.