TABLE 1.
Crystallographic data and refinement statistics for the E2pCD
Values in parenthesis are for the last shell.
| Data statistics | |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 77.56, b = 92.83, c = 110.54 |
| Diffraction limit (Å) | 2.25 |
| Completenes (%) | 100.0 (99.9) |
| Total no. of reflections | 233,033 |
| No. of unique reflections | 38,560 |
| Rmerge (on I) | 0.093 (0.572) |
| I/ δ (unaveraged) | 3.7 (1.8) |
| Average redundancy | 6.04 (5.77) |
| X-ray source | Synchrotron (APS, SERCAT, sector 22BM) |
| Wavelength (Å) | 1.00 |
| Refinement | |
| Resolution range (Å) | 21.40–2.25 |
| No. of reflections | 37,762 |
| No. of reflections for test set | 1,885 |
| R factor | 0.207 (0.362) |
| Rfree | 0.246 (0.365) |
| No. of residues | 741 |
| No. of protein atoms | 5,725 |
| No. of solvent atoms | 318 |
| Root mean square deviations | |
| Bond lengths (Å) | 0.003 |
| Bond angles (degrees) | 0.70 |