Table S1.
Data collection and refinement statistics
| Crystallographic data | CAR4:Ca:PSF | CAR4:Ca:Zn:POC | CAR4:Ca:Zn | CAR1:Ca |
| Data collection | ||||
| Beam line ESRF | ID14-4 | ID14-1 | ID29 | ID23-1 |
| Wavelength | 0.94 | 0.93 | 1.71 | 0.98 |
| Resolution, Å | 46.7–1.06 (1.62–1.60) | 47.5–2.40 (2.5–2.40) | 46.90–2.20 (2.26–2.2) | 23.23–1.65 (1.75–1.65) |
| Space group | P212121 | P212121 | P212121 | C2 2 21 |
| a | 35.58 | 35.74 | 35.29 | 39.60 |
| b | 89.77 | 89.15 | 88.93 | 170.30 |
| c, Å | 109.64 | 112.47 | 110.57 | 53.21 |
| Rsym | 0.05 (0.38) | 0.09 (0.52) | 0.11 (0.86) | 0.06 (0.70) |
| Rpim | 0.02 (0.12) | 0.06 (0.33) | 0.03 (0.26) | — (—) |
| I/σ(I) | 32.1 (6.7) | 14.2 (3.3) | 17.2 (2.9) | 20.79 (3.07) |
| Completeness, % | 99.9 (99.0) | 99.2 (99.0) | 100 (100) | 99.4 (99.1) |
| Redundancy | 13.8 (11.2) | 6.3 (6.5) | 6.6 (6.2) | 5.9 (5.9) |
| Number of images | 360 | 161 | 360 | 200 |
| Δϕ, ° | 1 | 1 | 1 | 1 |
| Refinement | ||||
| No. reflections | 88,958 | 27,044 | 36,649 | 22,034 |
| Rwork/Rfree | 0.19/0.22 (0.24/0.27) | 0.21/0.26 (0.30/0.32) | 0.22/0.26 (0.32/0.35) | 0.21/0.24 (0.32/0.34) |
| No. atoms | ||||
| Protein | 2,631 | 2,634 | 2,630 | 1,215 |
| Water | 533 | 139 | 105 | 96 |
| Heteroatoms | 4 Ca | 4 Ca, 1 Zn | 4 Ca, 1 Zn | 1 Ca, 2 SO4, 1 GOL |
| Ligands | 1 PSF | 2 POC | ||
| rmsd | ||||
| Bond lengths, Å | 0.006 | 0.008 | 0.009 | 0.008 |
| Bond angles, ° | 1.075 | 1.210 | 1.297 | 1.247 |
The limits of the maximum resolution range and the corresponding statistics are indicated in parentheses.