Table 1. Crystal parameters, data collection statistics and refinement statistics of Sorcin in the apo form (apoSor) and in complex with Ca2+ (CaSor).
| PDB code | apoSor | CaSor |
|---|---|---|
| 4UPG | 4USL | |
| Space group | I422 | C2221 |
| Cell parameters (Å) | a = b = 106.4, c = 77.5 Å | a = 52.4, b = 111.6, c = 60.5 |
| Asymmetric unit (residues) | Monomer (30–198) | Monomer(12–17, 26–198) |
| N° of bound ions | — | 3 Ca2+ |
| Resolution ranges (Å) | 2.1–50.0 (2.1–2.2) | 1.65–50 (1.65–1.69) |
| Unique reflections | 23604 (4375) | 41040 (3051) |
| Completness (%) | 99.7 (98.2) | 99.5 (99.6) |
| Redundancy | 6.8 (7) | 3.4 (3.3) |
| Rmerge (%) | 11 (59) | 4 (66) |
| CC(1/2) | 99.8 (88.2) | 99.9 (83.3) |
| I/σ(I) | 14.8 (3.6) | 21.57 (3.0) |
| Resolution ranges (Å) | 2.10–40.59 (2.10–2.15) | 1.65–37.34 (1.65–1.69) |
| Rcryst(%) | 18.1 (23.4) | 19.1 (32.9) |
| Rfree(%) | 21.9 (30.0) | 22.1 (33.3) |
| rms (angles) (°) | 1.46 | 1.32 |
| Rms (bonds) (Å) | 0.01 | 0.01 |
| Wilson B-factor (Å2) | 29.3 | 21.6 |
| Residues in core regions of the Ramachandran plot (%) | 98.8 | 99.4 |
| Residues in allowed regions of the Ramachandran plot (%) | 1.2 | 0.6 |
Values in parentheses are for the highest-resolution shell.