Table 5. X-ray crystallographic data collection and refinement statistics.
| Isoform-compound | CA II-4c | CA II-2c | CA II-1d | CA XIII-4c |
| PDB ID | 4QSA | 4QSB | 4QSI | 4QSJ |
| Crystallization buffer | 2M sodium malonate (pH 7.5) | 2.2M sodium malonate (pH 7.5) | 0.1M sodium BICINE (pH 9.0) and 3.1M sodium malonate (pH 7.0) | 0.1M sodium citrate (pH 5.5), 0.2M sodium acetate (pH 4.5) and 28% PEG4000 |
| Spacegroup | P21 | P21 | P21 | P212121 |
| Unit cell (Å) | a = 42.12, b = 40.99, c = 71.64, α = γ = 90°, β = 104.06° | a = 42.25, b = 40.98, c = 71.48, α = γ = 90°, β = 104.04° | a = 42.06, b = 40.92, c = 71.59, α = γ = 90°, β = 104.01° | a = 56.51, b = 57.68, c = 159.88, α = β = γ = 90.0° |
| Resolution (Å) | 23.31–1.50 | 18.75–1.40 | 24.36–1.95 | 39.10–1.70 |
| Nref (unique) | 38075 | 46809 | 16250 | 57690 |
| Rmerge, (outer shell) | 0.065 (0.119) | 0.099 (0.390) | 0.048 (0.263) | 0.060 (0.377) |
| I/σ (outer shell) | 17.3 (8.5) | 16.8 (2.5) | 28.1 (6.3) | 18.1 (3.8) |
| Multiplicity (outer shell) | 7.0 (5.5) | 5.0 (5.0) | 6.8 (6.5) | 5.2 (5.2) |
| Completeness (%) (outer shell) | 99.2 (94.7) | 99.7 (99.9) | 93.6 (89.1) | 99.2 (99.3) |
| Natoms | 2475 | 2374 | 2292 | 4942 |
| Rwork | 0.166 | 0.188 | 0.157 | 0.166 |
| Rfree | 0.205 | 0.220 | 0.209 | 0.202 |
| Baverage | 15.138 | 16.507 | 19.510 | 17.382 |
| RMSbonds | 0.024 | 0.025 | 0.018 | 0.022 |
| RMSangles | 2.289 | 2.392 | 1.892 | 2.163 |
All datasets were collected at 100 K, test set size was 10%.