Table 2. Data collection and structure determination of Tim50(164361).
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Diffraction source | APS beamline 22-ID |
| Temperature (K) | 100 |
| Detector | MAR CCD, 300mm |
| Crystal-to-detector distance (mm) | 220 |
| Rotation range per image () | 1 |
| Total rotation range () | 100 |
| Exposure time per image (s) | 2 |
| Space group | P41212 |
| Unit-cell parameters (, ) | a = b = 164.29, c = 150.53, = = = 90.00 |
| Wavelength () | 0.9500 |
| Resolution () | 38.522.67 (2.772.672) |
| R sym or R merge | 0.088 (0.36) |
| I/(I) | 28.48 (2.66) |
| Completeness (%) | 99.79 (99.00) |
| Multiplicity | 7.7 (3.2) |
| No. of collected reflections | 58660 (5739) |
| No. of possible unique reflections | 58798 |
| Refinement | |
| Resolution () | 2.67 |
| R work/R free | 0.1866 (0.2704)/0.2394 (0.3274) |
| No. of atoms | |
| Protein | 9305 |
| Water | 109 |
| B factors (2) | |
| Protein | 66.10 |
| Water | 74.5 |
| R.m.s. deviations | |
| Bond lengths () | 0.009 |
| Bond angles () | 1.38 |