Table 3.
Data collection and structure determination statistics for BBP-A
| Data collectiona | BBP-A – BTN | BBP-A – BSO |
| Wavelength (Å) | 1.063 | 1.063 |
| Beamline | I711 (MAX-lab) | I711 (MAX-lab) |
| Detector | MarCCD 165 | MarCCD 165 |
| Resolution (Å) | 25-2.1 (2.2-2.1) | 25-1.75 (1.85-1.75) |
| Unique observations | 10571 (1351) | 26447 (3993) |
| I/sigma | 14.06 (4.31) | 12.78 (3.24) |
| Rfactor (%)b | 10.5 (48.6) | 7.7 (48.2) |
| Completeness | 99.9 (100) | 99.9 (100) |
| Redundancy | 8.6 (8.7) | 4.8 (4.8) |
| Refinement | ||
| Space group | I4122 | P21212 |
| Unit cell: | ||
| a, b, c (Å) | 61.7, 61,7, 179.7 | 79.7, 56.0, 57.1 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Monomers (asymmetric unit) | 1 | 2 |
| Resolution (Å) | 25-2.1 | 25-1.75 |
| Rwork (%) | 19.5 | 19.3 |
| Rfree (%) | 22.0 | 23.3 |
| Protein atoms | 969 | 1965 |
| Heterogen atoms | 22 | 34 |
| Solvent atoms | 61 | 212 |
| R.m.s.d: | ||
| Bond lengths (Å) | 0.014 | 0.014 |
| Bond angles (°) | 1.6 | 1.6 |
| Ramachandran plot: | ||
| Residues in most favored regions | 93.3 | 93.3 |
| Residues in additional allowed regions | 6.7 | 6.7 |
| Residues in generously allowed regions | 0 | 0 |
| Residues in disallowed regions | 0 | 0 |
aThe numbers in parenthesis refer to the highest resolution bin.
bObserved R-factor from XDS [53].