Table 1.
Crystallographic data collection, refinement and stereochemistry parameters.
| 3E2L | 3E2K | |
|---|---|---|
| Data Collection: | ||
| Resolution (Å) | 200.00-1.87 | 50.00-2.10 |
| Wavelength (Å) | 1.1159 | 1.1159 |
| Space Group | C2 | P212121 |
| Unit Cell Dimensions (a,b,c) Å | 162.2, 66.4, 82.2 | 41.2, 76.2, 241.4 |
| Unit Cell Angles (α,β,γ)° | 90.0, 101.3, 90.0 | 90.0, 90.0, 90.0 |
| I/σ (last shell) | 12.6 (2.0) | 13.8 (3.2) |
| Rsym (last shell) (%) | 8.4 (46.3) | 12.7(68.9) |
| Completeness (last shell) | 98.2 (82.0) | 99.5 (95.0) |
| No. of reflections | 233,579 | 329,383 |
| unique | 66,559 | 46,130 |
| Refinement: | ||
| Resolution (Å) | 51.79-1.87 | 40.78-2.09 |
| No. of reflections | 66.559 | 46.130 |
| working | 63,183 | 43,801 |
| free (% total) | 3,376 (5.1) | 2,329 (5.1) |
| Rwork (last shell) (%) | 16.9 (25.3) | 19.0 (20.9) |
| Rfree (last shell) (%) | 21.3 (32.6) | 23.4 (24.5) |
| Structure and Stereochemistry | ||
| No. of atoms | 7,011 | 6,523 |
| protein | 6,309 | 6,319 |
| water | 702 | 204 |
| RMSD bond lengths (Å) | 0.008 | 0.005 |
| RMSD bond angles (°) | 1.124 | 0.951 |