Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| K. pneumoniae topoisomerase IV | S. pneumoniae topoisomerase IV | |
|---|---|---|
| Diffraction source | Beamline I03, Diamond Light Source | |
| Wavelength (Å) | 0.97620 | 0.97630 |
| Temperature (K) | 100.0 | 100.0 |
| Detector | Pilatus 6M-F | ADSC Quantum 315 |
| Crystal-to-detector distance (mm) | 502.22 | 377.629 |
| Rotation range per image (°) | 0.2 | 0.25 |
| Total rotation range (°) | 180 | 75 |
| Exposure time per image (s) | 0.2 | 1.0 |
| Space group | P21 | P3121 |
| a, b, c (Å) | 102.07, 161.53, 138.60 | 157.83, 157.83, 211.15 |
| α, β, γ (°) | 90, 94.22, 90 | |
| Mosaicity (°) | 0.237 | 0.466 |
| Resolution range (Å) | 86.12–3.35 (3.53–3.35) | 50–2.90 (3.00–2.90) |
| Total No. of reflections | 160764 | 311576 |
| No. of unique reflections | 63406 | 67471 |
| Completeness (%) | 98.5 (98.4) | 99.4 (99.9) |
| Multiplicity | 2.53 (2.59) | 4.6 (4.7) |
| 〈I/σ(I)〉 | 3.48 (1.95) | 16.14 (3.48) |
| R r.i.m. † | 0.116 (0.434) | 0.08 (0.515) |
| Overall B factor from Wilson plot (Å2) | 53.29 | 73.37 |
†
Estimated R r.i.m. = R merge[N/(N − 1)]1/2, where N is the data multiplicity.