Table 1. X-ray diffraction and crystallographic refinement data.
| Space group | I222 | P21212 | P212121 |
| Unit cell dimensions | 123.51, 165.52, 167.67 |
175.50, 147.73, 167.63 |
155.50, 156.52, 325.03 |
| Resolution (Å) | 4.19 | 6.49 | 7.81 |
| Measured reflections | 16,7202 | 56,958 | 34,715 |
| Unique reflections | 12,914 | 9,001 | 8,723 |
| Completeness | 99.7% (96.4%) | 99.6% (96.1%) | 92.1% (77.4%) |
| Rsym | 12.7% (88.5%) | 8.6% (81.9%) | 14.2% (59.7%) |
| I/σ(I) | 14.2 (3.3) | 14.2 (2.3) | 10.7 (2.3) |
| Refinement | |||
| Resolution | 83.83–4.19 | 93.71–6.49 | 91.27–7.81 |
| Asymmetric unit | 3 molecules | 6 molecules | 12 molecules |
| Matthews coefficient | 2.85 | 3.61 | 3.29 |
| Solvent content | 56.85% | 65.97% | 62.61% |
| Data used for refinement |
11,622 | 8,100 | 7,849 |
| Data used for Rfree | 646 | 451 | 437 |
| Final Rwork | 0.251 | 0.271 | 0.288 |
| Final Rfree | 0.295 | 0.324 | 0.339 |
| RMSD | |||
| Bonds (Å) | 0.009 | 0.007 | 0.010 |
| Angles (°) | 1.44 | 1.01 | 1.44 |
| PDB ID | 4QES | 4QF0 | 4QFF |