Table 3. Data collection and processing.
Values in parentheses are for the highest resolution shell.
| MBP-DUSP1 CD in complex with DARPin off7 | MBP-DUSP1 CD in complex with DARPin 16 (MBP open form) | MBP-DUSP1 CD in complex with DARPin 16 (MBP closed form) | |
|---|---|---|---|
| Diffraction source | 22-BM, SER-CAT | MicroMax-007 HF | MicroMax-007 HF |
| Wavelength (Å) | 1.0 | 1.5418 | 1.5418 |
| Temperature (K) | 100 | 100 | 100 |
| Detector | MAR 225 CCD | MAR345 image plate | MAR345 image plate |
| Crystal-to-detector distance (mm) | 275 | 200 | 175 |
| Rotation range per image (°) | 1.0 | 0.25 | 0.5 |
| Total rotation range (°) | 180 | 180 | 180 |
| Exposure per image (s) | 0.5 | 300 | 600 |
| Space group | P212121 | P41212 | P212121 |
| Unit-cell parameters | |||
| a (Å) | 75.3 | 79.9 | 75.2 |
| b (Å) | 109.5 | 79.9 | 84.6 |
| c (Å) | 218.5 | 265.7 | 105.9 |
| α = β = γ (°) | 90 | 90 | 90 |
| Mosaicity (°) | 0.47 | 0.69 | 0.30 |
| Resolution range (Å) | 50.00–2.34 (2.38–2.34) | 50.00–2.22 (2.30–2.22) | 50.00–2.55 (2.64–2.55) |
| Total No. of reflections | 372374 | 461040 | 146915 |
| No. of unique reflections | 75855 (3726) | 43247 (3697) | 22649 (2139) |
| Completeness (%) | 99.8 (100) | 98.6 (86.5) | 99.6 (96.4) |
| Multiplicity | 4.9 (4.6) | 10.7 (7.7) | 6.5 (3.4) |
| Mean I/σ(I) | 17.1 (2.3) | 46.4 (3.6) | 18.1 (2.0) |
| R merge | 0.117 (0.763) | 0.050 (0.388) | 0.100 (0.603) |
| Overall B factor from Wilson plot (Å2) | 32.0 | 27.0 | 49.8 |
| No. of heterodimers in the asymmetric unit | 2 | 1 | 1 |