(a) Data processing.
| Insulin X-ray data | Insulin ED data (data sets 3–7 merged) | Thermolysin | Thaumatin | |
|---|---|---|---|---|
| Space group | R3 | R3 | P6122 | P41212 |
| Unit-cell parameters (Å) | a = b = 81.28, c = 33.31 | a = b = 82.40, c = 33.46 | a = b = 92.00, c = 127.48 | a = b = 57.72, c = 149.17 |
| Wavelength (Å) | 0.979855 | 0.02508 | 0.02508 | 0.02508 |
| Resolution range (Å) | 30.73–2.30 (2.36–2.30) | 30.73–3.25 (3.40–3.25) | 14.58–3.26 (3.34–3.26) | 12.34–2.76 (2.83–2.76) |
| No. of observations | 16882 (660) | 3194 (398) | 18806 (679) | 21293 (243) |
| No. of unique reflections | 3613 (239) | 1201 (131) | 4536 (282) | 4597 (112) |
| Multiplicity | 4.7 (2.8) | 2.7 (3.0) | 4.2 (2.4) | 4.6 (2.2) |
| Completeness (%) | 99.3 (93.7) | 90.2 (85.6) | 84.3 (71.6) | 65.6 (23.1)† |
| R merge | 0.095 (0.282) | 0.272 (0.747) | 0.548 (0.781) | 0.537 (0.803) |
| R meas | 0.107 (0.347) | 0.328 (0.891) | 0.618 (1.001) | 0.593 (1.055) |
| CC1/2 | 0.993 (0.880) | 0.923 (0.496) | 0.867 (0.455) | 0.878 (0.410) |
| 〈I/σ(I)〉 | 11.81 (3.78) | 2.86 (1.29) | 2.14 (1.02) | 2.09 (1.00) |
| Wilson B factor (Å2) | 35.6 | 71.9 | 40.3 | 37.3 |
| Twin fraction (SFCHECK, H-test) | 0.036 | 0.072 | 0.073 | 0.039 |