Table 2. Data collection and processing.
Values in parentheses are for the outer shell.
| Fab4–TerL(1–23) | Fab4–TerLpep | Fab4 | |
|---|---|---|---|
| Diffraction source | Beamline 9-2, SSRL | Beamline 9-2, SSRL | Beamline 9-2, SSRL |
| Wavelength (Å) | 0.980 | 0.978 | 0.978 |
| Temperature (K) | 100 | 100 | 100 |
| Detector | PILATUS 6M PAD | PILATUS 6M PAD | PILATUS 6M PAD |
| Crystal-to-detector distance (mm) | 350 | 250 | 200 |
| Rotation range per image (°) | 0.5 | 0.5 | 0.5 |
| Total rotation range (°) | 250 | 225 | 250 |
| Exposure time per image (s) | 3 | 2 | 3 |
| Space group | P21 | P21 | P21 |
| a, b, c (Å) | 77.7, 139.3, 163.7 | 74.1, 86.3, 86.1 | 64.7, 65.8, 107.4 |
| α, β, γ (°) | 90.0, 98.2, 90.0 | 90.0, 97.7, 90.0 | 90.0, 99.8, 90.0 |
| Mosaicity (°) | 0.25 | 0.20 | 0.30 |
| Resolution range (Å) | 50–2.49 (2.49–2.40) | 51–1.51 (1.56–1.51) | 15–1.15 (1.19–1.15) |
| Total No. of reflections | 3100030 | 3417037 | 5789033 |
| No. of unique reflections | 127623 | 161937 | 293620 |
| Completeness (%) | 94.0 (94.2) | 96.0 (94.3) | 93.8 (59.8) |
| Multiplicity | 2.5 (2.3) | 2.9 (2.7) | 4.7 (3.0) |
| 〈I/σ(I)〉 | 11.3 (1.6) | 32.7 (1.9) | 50.4 (1.9) |
| R merge (%) | 11.8 (63.9) | 9.2 (71.3) | 5.4 (77.9) |
| R r.i.m. (%) | 8.5 (55.5) | 4.2 (57.3) | 2.7 (55.9) |
| CC1/2 (outer shell) | 0.508 | 0.456 | 0.511 |
| Overall B factor from Wilson plot (Å2) | 32.5 | 20.4 | 15.9 |