Table 1.
X-ray crystallography data collection and refinement statistics
| 2pFASP:CK1δ | 3pFASP:CK1δ | 4pFASP:CK1δ | pS589:CK1δ | |
|---|---|---|---|---|
| Data collection | ||||
| PDB Id. | 8D7M | 8D7N | 8D7O | 8D7P |
| Beam line | APS(23IDD) | APS(23IDD) | APS(23IDD) | APS(23IDD) |
| Resolution Range (Å) (highest shell)* |
46.15 – 2.25 (2.32 – 2.25) |
68.01–1.66 (1.69 – 1.66) |
67.70 – 1.65 (1.68 – 1.65) |
60.77 – 2.25 (2.32 – 2.25) |
| Space group | C 1 2 1 | C 1 2 1 | C 1 2 1 | P1 |
| a, b, c | 55.7, 135.97, 91.14 | 55.90, 136.03, 90.54 | 55.33, 135.40, 90.35 | 48.78, 56.74, 65.94 |
| , , | 90, 94.3, 90 | 90, 94.60, 90 | 90, 94.41, 90 | 108.93, 95.63, 108.69 |
| Wavelength (Å) | 1.03 | 1.03 | 1.03 | 1.03 |
| Total observations | 176957 (15319) | 480416 (23861) | 468136 (24113) | 85303 (7506) |
| Unique reflections | 31319 (2767) | 79274 (3942) | 78946 (4059) | 27457 (2505) |
| Completeness (%) | 97.8 (94.5) | 100 (99.9) | 99.4 (99.2) | 93.7 (91.8) |
| Rmerge | 15.2 (127.4) | 9.3 (55.6) | 6.4 (54.2) | 11.6 (31.2) |
| <I/σ> | 9.4 (2.5) | 9.9 (2.7) | 13.6 (2.9) | 5.5 (2.7) |
| CC1/2 | 0.99 (0.55) | 0.99 (0.82) | 0.99 (0.84) | 0.98 (0.85) |
| Redundancy | 5.7 (5.5) | 6.1 (6.1) | 5.9 (5.9) | 3.1 (3.0) |
| Refinement | ||||
| Rwork/ Rfree (%) | 17.9 (22.9) | 18.8 (21.3) | 17.4 (21.1) | 19.7 (25.4) |
| Number of non-hydrogen atoms | 5075 | 5388 | 5342 | 4999 |
| Protein | 4820 | 4840 | 4840 | 4864 |
| Water | 255 | 548 | 502 | 135 |
| B-factor (Wilson) | 36.95 | 33.32 | 32.9 | 29.93 |
| RMSD Bond length (Å) | 0.008 | 0.01 | 0.011 | 0.009 |
| RMSD Bond angle | 1.05 | 1.18 | 1.18 | 1.04 |
| Ramachandran favored(%)/ Ramachandran outliers(%) | 97.04/0.0 | 96.17/0.0 | 96.34/0.26 | 96.23/0.0 |