Table 3.
Crystallographic data collection
| Data collection | |
|---|---|
| Wavelength (Å) | 0.9763 |
| Space group | P 1 21 1 |
| Unit cell parameters | a=56.63 Å, b=54.41 Å, c=140.78 Å, β=90.97° |
| Resolution (Å) | 70.36–2.35 (2.48–2.35) |
| No. of observations | 704 196 |
| No. of unique reflections | 35 957 |
| Multiplicity | 19.6 (7.7) |
| Anomalous multiplicity | 10.1 (3.9) |
| Completeness (%) | 100 (100) |
| Anomalous completeness | 100 (100) |
| Average I/sigma I | 22.1 (3.8) |
| Rsym | 0.124 (0.361) |
| Refinement | |
| No. of reflections | 34 148 |
| Rwork (%) | 17.1 (21.2) |
| Rfree (%) | 23.3 (29.9) |
| No. of atoms | 7080 |
| r.m.s.d. | |
| Bond lengths (Å) | 0.012 |
| Bond angles (deg) | 1.382 |
| Ramachandran plot | |
| Favoured (%) | 96.1 |
| Allowed (%) | 99.9 |
| Mean B-factor | |
| Wilson B (Å3) | 39.5 |
| Main chain (Å3) | 48.3 |
| Side chain/water (Å3) | 47.3 |