Table 4. X-ray diffraction data collection and processing.
Values in parentheses are for the highest resolution shell.
| Sample for crystallization | Tm1743NADP+EOPB | Tm1743NADP+ |
|---|---|---|
| Diffraction source | Rigaku MicroMax-007 HF | BL17U, SSRF |
| Wavelength () | 1.5418 | 0.97923 |
| Temperature (K) | 100 | 100 |
| Detector | R-AXIS VI++ | ADSC Q315r |
| Crystal-to-detector distance (mm) | 130 | 450 |
| Rotation range per image () | 1 | 1 |
| Total rotation range () | 180 | 180 |
| Exposure time per image (s) | 300 | 1 |
| Space group | P3121 | P3121 |
| Unit-cell parameters (, ) | a = b = 84.821, c = 93.727, = = 90, = 120 | a = b = 84.922, c = 93.637 = = 90, = 120 |
| Mosaicity () | 1.10 | 0.47 |
| Resolution range () | 502.00 (2.032.00) | 501.70 (1.731.70) |
| Total No. of reflections | 255930 (12490) | 377861 (23371) |
| No. of unique reflections | 25576 (1301) | 39524 (2164) |
| Completeness (%) | 95.8 (98.4) | 90.8 (100.0) |
| Multiplicity | 10.0 (9.6) | 9.6 (10.8) |
| I/(I) | 9.8 (3.3) | 15.2 (5.9) |
| R merge † (%) | 10.9 (0.0) | 8.7 (99.3) |
| Overall B factor from Wilson plot (2) | 40.51 | 24.5 |
| Matthews coefficient V M (3Da1) | 2.79 | 2.79 |
| Solvent content (%) | 55.9 | 56.0 |
†
R
merge = 
, where Ii(hkl) is the intensity of the ith measurement of reflection hkl and I(hkl)is the mean intensity of all symmetry-related reflections.