Table 4.
Data collection, phasing, and refinement statistics for the C. parvum CDPK and MAP-1 structures.
| Structure | CpCDPK1 | CpCDPK1-PP1 | CpCDPK2 | |
|---|---|---|---|---|
| PDB Code | 3DFA | 2WEI | 2QG5 | |
| Space Group | P43212 | P43212 | C2 | |
| Cell Dimensions | ||||
| a (Å) | 69.45 | 68.9 | 138.18 | |
| b (Å) | 69.45 | 68.9 | 86.48 | |
| c (Å) | 137.41 | 130.46 | 87.96 | |
| Α (°) | 90 | 90 | 90 | |
| β (°) | 90 | 90 | 96.37 | |
| γ (°) | 90 | 90 | 90 | |
| Wavelength | 0.91996 | 0.99989 | 1 | |
| Resolution (Å) | 50 - 2.45 (2.54) | 33 - 1.65 (1.74) | 50 - 2.3 (2.36) | |
| Unique reflections | 38607 | 38421 | ||
| Rmerge | .072 (.471) | .11 (.70) | .11 (.45) | |
| I/σI | 11.2 (4.53) | 10.2 (2.3) | 12.4 (1.5) | |
| Completeness (%) | 96.9 (83.5) | 99.9 (100) | 88.4 (60.7) | |
| Redundancy | 13.2 (11.1) | 8.3 (7) | 3.4 (2.0) | |
| Refinement | ||||
| Resolution | 50 - 2.45 (2.52) |
33 - 1.65 (1.693) | 40 - 2.3 (2.36) | |
| Number of Reflections | 12590 | 36676 | 38421 | |
| Test Set | 611 | 1837 | 2104 | |
| Rwork/Rfree | .234/.263 | .197/.229 | .224/.286 | |
| Number of Atoms | 2183 | 2486 | 7227 | |
| Mean Bfactor | 59.4 | 22.1 | 38.03 | |
| Ramachandran Favored | 96.1 | 97.5 | 95.8 | |
| Ramachandran Disallowed | 0 | 0 | 0 | |
| RMS deviations | ||||
| Bond length (Å) | 0.007 | 0.014 | 0.013 | |
| Bond angle (°) | 1.014 | 1.41 | 1.351 | |
| Structure | CpCDPK2-Ind-E804 | CpCDPK4 | CpMAP-1 | |
| PDB Code | 3F3Z | 3HKO | 3OZ6 | |
| Space Group | C2 | P212121 | P212121 | |
| Cell Dimensions | ||||
| a (Å) | 63.32 | 54.48 | 74.30 | |
| b (Å) | 82.86 | 63.04 | 96.75 | |
| c (Å) | 62.15 | 84.04 | 119.99 | |
| Α (°) | 90 | 90 | 90 | |
| β (°) | 111.61 | 90 | 90 | |
| γ (°) | 90 | 90 | 90 | |
| Wavelength | 1.5418 | 0.978 | 0.97924 | |
| Resolution (Å) | 50 - 1.84 (1.91) | 50 - 1.80 (1.86) | 50 - 2.4 (2.44) | |
| Measured reflections | 607387 | |||
| Unique reflections | 27359 | 62534 | ||
| Rmerge | 0.054 (.606) | 0.073 (.555) | 0.087 (.921) | |
| I/σI | X (2.5) | 20.5 (1.53) | 14.8 (1.34) | |
| Completeness (%) | 99.2 (95.7) | 99.2 (92.4) | 99.2 (98.7) | |
| Redundancy | 3.7 (3.5) | 6.1 (2.50) | 3.8 (3.8) | |
| Refinement | ||||
| Resolution | 50 - 1.84 (1.89) | 50 - 1.8 (1.84) | 45 - 2.4 (2.44) | |
| Number of Reflections | 25653 | 27292 | 33427 | |
| Test Set | 1303 | 1376 | 1697 | |
| Rwork/Rfree | .189/.230 | .204/.246 | .232/.259 | |
| Number of Atoms | 2462 | 2789 | 5390 | |
| Mean Bfactor | 27.47 | 26.95 | 51.1 | |
| Ramachandran Favored | 98.2 | 97.2 | 96.7 | |
| Ramachandran Disallowed | 0 | 0 | 0 | |
| RMS deviations | ||||
| Bond length (Å) | 0.01 | 0.008 | 0.01 | |
| Bond angle (°) | 1.501 | 1.204 | 1.100 | |