Table 1. Data collection and processing.
Values in parentheses are for the outer shell.
| Data set | TbAAT-native | TbAAT-K237A | LmAAT | GlAAT |
|---|---|---|---|---|
| Wavelength () | 1.5418 | 0.97856 | 1.5418 | 1.5418 |
| Crystal-to-detector distance (mm) | 50 | 175 | 50 | 50 |
| Rotation range per image () | 0.5 | 0.5 | 0.5 | 0.5 |
| Total rotation range () | 180 | 180 | 360 | 180 |
| Exposure time per image (s) | 30 | 1 | 30 | 30 |
| Space group | P21 | P21 | P21 | P21 |
| a, b, c () | 62.26, 96.25, 81.32 | 62.39, 96.66, 81.61 | 61.41, 93.67, 74.59 | 58.58, 101.15, 81.53 |
| , , () | 90, 111.62, 90 | 90, 111.03, 90 | 90, 106.57, 90 | 90, 90.62, 90 |
| Mosaicity () | 0.50 | 0.20 | 0.25 | 0.55 |
| Resolution range () | 502.30 (2.362.30) | 501.70 (1.741.70) | 501.85 (1.901.85) | 501.90 (1.951.90) |
| Total No. of reflections | 146263 (10489) | 372563 (27701) | 356493 (15370) | 121219 (8706) |
| No. of unique reflections | 39747 (2800) | 97248 (7108) | 68837 (5037) | 71707 (4842) |
| Completeness (%) | 98.0 (96.5) | 97.9 (97.0) | 99.6 (98.6) | 95.8 (87.3) |
| Multiplicity | 3.8 (3.8) | 3.8 (3.9) | 5.2 (3.1) | 2.7 (1.8) |
| I/(I) | 12.8 (3.1) | 16.1 (2.9) | 22.7 (2.3) | 9.9 (3.0) |
| R merge † | 0.085 (0.532) | 0.047 (0.517) | 0.054 (0.541) | 0.091 (0.336) |
| R meas ‡ | 0.100 (0.625) | 0.055 (0.599) | 0.060 (0.655) | 0.113 (0.475) |
| Overall B factor from Wilson plot (2) | 35.4 | 19.8 | 17.3 | 19.1 |
