Table 1. Selected crystallographic parameters for native XynB3 crystals.
Values in parentheses are for the outer shell.
| Crystal form | Orthorhombic (detergent DDAO) | Tetragonal (detergent HEGA-8) |
|---|---|---|
| Synchrotron | BL1, PSF, BESSY, Berlin | X13, EMBL Outstation, Hamburg |
| Wavelength (Å) | 0.9797 | 0.8048 |
| Unit-cell parameters | ||
| a (Å) | 98.32 | 140.15 |
| b (Å) | 99.36 | 140.15 |
| c (Å) | 258.64 | 233.11 |
| Space group | P21212 | P41212 (or P43212) |
| No. monomers in AU | 4 | 4 |
| VM (Å3 Da−1) | 2.5 | 2.3 |
| Oscillation angle per frame (°) | 0.3 | 0.1 |
| No. of frames | 823 | 772 |
| Data-collection temperature (K) | 100 | 100 |
| Resolution (Å) | 2.5 (2.54–2.50) | 2.2 (2.23–2.20) |
| Mosaicity (°) | 0.36 | 0.41 |
| Total No. of reflections | 3044731 | 5966877 |
| No. of rejected reflections | 9600 | 5096 |
| No. of unique reflections | 88547 | 116620 |
| Completeness (%) | 99.9 (99.1) | 99.5 (97.8) |
| Rmerge (%) | 6.6 (12.4) | 7.1 (19.6) |
| 〈I/σ(I)〉 | 22.7 (12.3) | 12.0 (6.5) |