Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Molecule | IL-18 | IL-18IL-18R | IL-18IL-18R | IL-18IL-18R | IL-18IL-18RIL-18R |
|---|---|---|---|---|---|
| Detergent | CHAPS | NDSB-201 | LysoFos Choline Ether 10 | LysoFos Choline 10 | None |
| Diffraction source | BL38B1, SPring-8 | BL1A, PF | BL5A, PF | BL44XU, SPring-8 | BL17A, PF |
| Wavelength () | 1.0000 | 1.1000 | 0.9407 | 0.9000 | 0.9800 |
| Temperature (K) | 100 | 100 | 100 | 100 | 100 |
| Detector | ADSC Q315 | Dectris PILATUS 2M | ADSC Q315 | Rayonix MX225HE | ADSC Q270 |
| Crystal-to-detector distance (mm) | 300.0 | 328.7 | 319.6 | 300.0 | 309.6 |
| Software | XDS/SCALA | HKL-2000 | XDS/SCALA | XDS/SCALA | HKL-2000 |
| Space group | P21 | P6222 or P6422 | P21212 | P21212 | P212121 |
| a, b, c () | 68.15, 79.51, 73.46 | 148.05, 148.05, 226.35 | 136.09, 175.65, 184.57 | 135.49, 174.81, 183.40 | 72.56, 111.56, 134.57 |
| , , () | 90.00, 100.97, 90.00 | 90.00, 90.00, 120.00 | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 |
| Theoretical or estimated MW† (kDa) | 18.2 | 70.0 | 70.0 | 70.0 | 119.5 |
| Molecules in asymmetric unit | 4 | 2 | 6 | 6 | 1 |
| V M (3Da1) | 2.68 | 2.56 | 2.63 | 2.59 | 2.28 |
| Resolution range () | 45.02.33 (2.462.33) | 42.03.90 (4.043.90) | 47.33.30 (3.483.30) | 43.93.10 (3.273.10) | 50.03.10 (3.213.10) |
| Total No. of reflections | 121376 | 144429 | 989916 | 296079 | 202352 |
| No. of unique reflections | 32990 | 13981 | 66776 | 79180 | 20587 |
| Completeness (%) | 97.8 (97.1) | 100 (99.9) | 99.4 (99.1) | 99.6 (100) | 99.9 (99.3) |
| Multiplicity | 3.8 (3.8) | 10.3 (10.4) | 14.8 (15.3) | 3.7 (3.8) | 9.8 (9.2) |
| I/(I) | 20.5 (3.6) | 15.2 (2.1) | 20.0 (4.5) | 14.9 (2.5) | 19.8 (2.9) |
| R r.i.m. (%) | 5.7 (46.1) | 15.0 (75.6) | 14.2 (84.1) | 11.7 (67.8) | 12.1 (72.3) |
†
The molecular weights (MW) of the binary and ternary complexes are estimated from the gel-filtration profile because the receptors have heterogeneous N-linked high-mannose glycans. The values are used for calculation of the Matthews coefficient (V M).