Table 2. Selective refinement statistics for L-threonine and tHEWL collected using laboratory and synchrotron data.
Comparable laboratory and synchrotron data are only available for L-threonine.
| L-Threonine | tHEWL | ||||||
|---|---|---|---|---|---|---|---|
| X-ray source | Synergy-S | Synergy-S | MX1 | LTHREO21† | MX1 | 3LYM‡ | 4WLD§ |
| Pressure (GPa) | Ambient | 0.15 | 0.15 | Ambient | 0.44 | 0.1 | 0.0001 |
| Completeness (%) | 100 | 51.2 | 44.7 | 100 | 63.2 | N/A | N/A |
| Resolution | 0.73 | 0.80 | 0.76 | N/A | 2.10 | 2.00 | 1.54 |
| I/σ | 26.7 | 31.9 | 54.6 | N/A | 7.0 | N/A | N/A |
| R 1 (%) | 3.95 | 4.04 | 4.04 | 2.60 | 21.7 | 14.9 | 15.0 |
| Data collection time (s) | 2337 | 9504 | 14 | N/A | 70 | N/A | N/A |
| Space group | P212121 | P212121 | P212121 | P212121 | P43212 | P43212 | P43212 |
| a (Å) | 5.1456 (2) | 5.1419 (2) | 5.1498 (5) | 5.1481 (1) | 79.045 | 78.69 | 79.197 |
| b (Å) | 7.7415 (4) | 7.7217 (4) | 7.7304 (5) | 7.7426 (1) | 79.045 | 78.69 | 79.197 |
| c (Å) | 13.6223 (6) | 13.613 (5) | 13.602 (6) | 13.6138 (2) | 37.865 | 38 | 37.9 |
| V (Å3) | 542.64 (4) | 540.5 (2) | 541.4 (3) | 542.642 (15) | 236585 | 235300 | 237715 |