Table 2. Data-collection and processing statistics.
Values in parentheses are for the last shell.
| Protein | Native, 3-MeA complex | Y16F, 3-MeA complex |
|---|---|---|
| Diffraction source | ESRF beamline ID14-2 | Rotating anode |
| Wavelength () | 0.933 | 1.54 |
| Temperature (K) | 100 | 100 |
| Detector | ADSC Quantum 4 CCD | Saturn CCD |
| Crystal-to-detector distance (mm) | 203 | 55 |
| Rotation range per image () | 0.2 | 0.5 |
| Total rotation range () | 108 | 180 |
| Exposure time per image (s) | 5 | 5 |
| Space group | C2 | C2 |
| Unit-cell parameters | ||
| a, b, c () | 73.00, 78.59, 179.81 | 72.3, 78.8, 179.3 |
| , , () | 90, 90.56, 90 | 90, 90.5, 90 |
| Mosaicity () | 0.3 | 0.56 |
| Resolution range () | 29.601.80 (1.851.80) | 502.2 (2.282.20) |
| Total No. of reflections | 341926 | 118143 |
| No. of unique reflections | 92544 (5876) | 47714 (3209) |
| Completeness (%) | 98.4 (91.6) | 95.5 (89.1) |
| Redundancy | 3.7 (3.1) | 2.6 (2.3) |
| I/(I) | 17.50 (3.9) | 28.2 (10.9) |
| R r.i.m. † | 0.059 (0.292) | 0.04 (0.11) |
| Overall B factor from Wilson plot (2) | 18 | 24.2 |
†
Estimated R r.i.m. = R merge[N/(N 1)]1/2, where N is the data multiplicity.