Table S1.
Data collection and refinement statistics
| Statistic | IP3R1585 | IP3R1585 + IP3 | IP3R2217 | IP3R2217 + IP3 |
| Data collection | ||||
| Space group | Tetragonal P42 | Tetragonal P42 | Orthorhombic C2221 | Orthorhombic C2221 |
| Cell dimensions | ||||
| a, b, c, Å | 128.16, 128.16, 369.48 | 126.80 126.80 367.78 | 212.50, 221.72, 318.45 | 211.98, 223.48, 319.86 |
| α, β, γ,° | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution, Å | 48.81–5.81 (6.02–5.81) | 48.54–6.21 (6.43–6.21) | 49.1–7.31 (7.57–7.31) | 49.43–7.40 (7.66–7.40) |
| Rmerge | 0.17 (0.57) | 0.19 (0.57) | 0.20 (0.57) | 0.29 (0.57) |
| Total reflections | 171,665 (12,882) | 138,503 (10,144) | 120,772 (8,365) | 111,355 (8,282) |
| Unique reflections | 16,347 (1,614) | 13,068 (1,269) | 10,668 (1030) | 10,397 (1,023) |
| Completeness, % | 99.8 (99.3) | 99.6 (97.0) | 99.4 (98.7) | 99.4 (98.8) |
| Multiplicity | 10.5 (8.0) | 10.6 (8.0) | 11.3 (8.1) | 10.7 (8.1) |
| Mean <I/σ(I)> | 9.27 (2.22) | 8.21 (2.18) | 10.50 (2.31) | 6.94 (2.17) |
| Wilson B-factor, Å2 | 59.41 | 56.26 | 162.72 | 106.52 |
| CC1/2 | 0.997 (0.167) | 0.971 (0.154) | 0.993 (0.141) | 0.978 (0.258) |
| CC* | 0.999 (0.537) | 0.993 (0.517) | 0.998 (0.498) | 0.994 (0.641) |
| Refinement | ||||
| Resolution, Å | 48.81–5.81 (6.18–5.81) | 48.54–6.20 (6.70–6.22) | 49.15–7.31 (8.04–7.31) | 49.49–7.40 (8.01–7.40) |
| No. of reflections | 16,347 (2,562) | 13,069 (2,491) | 10,669 (2,487) | 10,397 (2,414) |
| Completeness, % | 99.9 (94.8) | 99.6 (94.9) | 99.9 (99.5) | 99.9 (99.5) |
| Rwork | 0.289 (0.215) | 0.360 (0.268) | 0.317 (0.331) | 0.353 (0.373) |
| Rfree | 0.347 (0.271) | 0.382 (0.311) | 0.394 (0.410) | 0.415 (0.398) |
| No. of atoms | 14,983 | 15,198 | 16,948 | 17,307 |
| Protein | 14,983 | 15,150 | 16,948 | 17,259 |
| Ligand/ion | 48 | 48 | ||
| Protein residues | 2,504 | 2,514 | 3,418 | 3,441 |
| B factors, Å2 | 23.7 | 174.1 | 170.7 | 52.1 |
| Protein | 23.7 | 174.1 | 170.7 | 52.0 |
| Ligands | 174.1 | 72.2 | ||
| rmsd | ||||
| Bond lengths, Å | 0.017 | 0.019 | 0.009 | 0.015 |
| Bond angles, ° | 1.86 | 1.98 | 1.50 | 2.29 |
| Ramachandran plot* | ||||
| Allowed/outliers, % | 92.6/7.4 | 91.2/8.8 | 91.9/8.1 | 92.9/7.1 |
*
Molprobity statistics were calculated using the Phenix refinement program.
The highest-resolution shell is shown in parentheses.