Table 4.
Summary of crystallographic parameters
| Protein Variant | AEGE | AEAE | GEGE | AEGE | AEGD | AEGD |
|---|---|---|---|---|---|---|
| PDB Accession code | 6BCE | 6BCF | 6BCG | 6BCI | 6BCT | 6BCN |
| Core 4 Sequence | ATAC | ATAC | ATAC | AACC | AACC | ATAC |
| Diffraction source | B-17-ID | B-17-ID | B-17-ID | B-17-ID | B-17-ID | B-17-ID |
| Detector | Dectris 6M | Dectris 6M | Dectris 6M | Dectris 6M | Dectris 6M | Dectris 6M |
| Crystal-detector distance (mm) | 250 | 250 | 250 | 250 | 250 | 250 |
| Rotation range per image (°) | 0.5 | 0.5 | 0.5 | 0.25 | 0.25 | 0.25 |
| Rotation range (°) | 210 | 210 | 210 | 360 | 360 | 360 |
| Exposure time | 0.12 | 0.12 | 0.12 | 0.08 | 0.08 | 0.08 |
| Space Group | C 1 2 1 | P1 | P1 | C 1 2 1 | C 1 2 1 | P1 |
| a,b,c (A) | 115.26, 42.75, 103.38 | 44.01, 66.77, 169.35 | 44.01, 66.77, 169.35 | 117.7, 43.6, 105.6 | 116.2, 43.4, 104.7 | 44.01, 66.77, 169.35 |
| α, β, γ (°) | 90.00, 109.22, 90.00 | 90.02, 89.95, 90.03 | 90.02, 89.95, 90.03 | 90.0, 106.0, 90.0 | 90.0, 107.0, 90.0 | 90.02, 89.95, 90.03 |
| Mosaicity (°) | 0.43 | 0.38 | 0.52 | 0.31 | 0.543 | 0.571 |
| Total no. of reflections | 144 059 | 148 917 | 237 651 | 114 528 | 76 741 | 188 282 |
| Unique reflections | 48 134 | 40 955 | 42 174 | 23 935 | 13 720 | 60 488 |
| Completeness (%) | 99.5 (99.2) | 98.0 (96.9) | 99.9 (98.9) | 100 (99.9) | 100 (100) | 98.0 (97.1) |
| Redundancy | 3.0 (2.8) | 7.2 (2.0) | 5.6 (5.8) | 4.8 (4.5) | 5.6 (5.4) | 3.2 (3.1) |
| I/σ (1) | 8.0 (2.0) | 7.2 (2.0) | 6.5 (2) | 8.9 (2.0) | 7.6 (2.0) | 3.9 (1.3) |
| R merge (%) | 6.2% (44.2%) | 8.0% (48.6%) | 6.5% (33.6%) | 4.7% (44.2%) | 10.6% (59%) | 10.9% (53.4%) |
| Model refinement | ||||||
| Resolution Range | 56.02-2.00 | 66.77-2.92 | 66.58-2.90 | 56.51-2.28 | 56.22-2.73 | 84.49-2.5 |
| R Work | 18.85 | 23.91 | 23.34 | 23.73 | 22.7 | 23.34 |
| R free | 21.45 | 30.86 | 27.36 | 26.83 | 28.16 | 27.36 |
| RMSD bond lengths (Å) | 0.009 | 0.01 | 0.06 | 0.005 | 0.004 | 0.006 |
| RMSD bond angles (Å) | 1.14 | 1.34 | 1.56 | 0.765 | 0.69 | 1.561 |
| Average B factor (Å2) | 36.4 | 74.6 | 45.5 | 64.9 | 86.1 | 45.5 |
| Ramachandran Outliers (%) | 0 | 0 | 0.1 | 0 | 0 | 0.4 |
| Rotamer Outliers (%) | 1.6 | 1.8 | 1.5 | 3.4 | 0.4 | 2.7 |
| ClashScore | 3.83 | 10.42 | 12.78 | 4.55 | 5.69 | 10.8 |