Table 4. Structure refinement.
Values in parentheses are for the outer shell.
| Form 1 | Form 2 | Form 3 | Form 4 | |
|---|---|---|---|---|
| Resolution range (Å) | 20.00–1.60 (1.64–1.60) | 20.00–2.40 (2.46–2.40) | 20.00–2.51 (2.57–2.51) | 20.00–3.05 (3.13–3.05) |
| Completeness (%) | 98.8 | 99.6 | 98.6 | 99.9 |
| σ Cutoff | None | None | None | None |
| No. of reflections | ||||
| Working set | 82482 (6092) | 57782 (4293) | 43802 (2948) | 21558 (1536) |
| Test set | 4370 (328) | 3081 (203) | 2318 (157) | 1162 (80) |
| Final R cryst | 0.180 (0.233) | 0.205 (0.261) | 0.193 (0.242) | 0.173 (0.236) |
| Final R free | 0.199 (0.264) | 0.246 (0.317) | 0.232 (0.302) | 0.173 (0.236) |
| No. of non-H atoms | ||||
| Protein | 4062 | 9087 | 9252 | 6889 |
| Ca2+ | ||||
| ERGIC-53CRD | 0 [chains A/C] | 8 [chains A/C/E/G] | 8 [chains A/C/E/G] | 3 [chains A/C/E] |
| MCFD2 | 4 [chains B/D] | 8 [chains B/D/F/H] | 8 [chains B/D/F/H] | 6 [chains B/D/F] |
| Ligand | 12 | 0 | 0 | 0 |
| Water | 239 | 238 | 293 | 10 |
| Total | 4317 | 9345 | 9564 | 6911 |
| R.m.s. deviations | ||||
| Bonds (Å) | 0.011 | 0.013 | 0.013 | 0.013 |
| Angles (°) | 1.437 | 1.509 | 1.533 | 1.642 |
| Average B factors (Å2) | ||||
| Protein | 30.2 | 45.3 | 38.0 | 38.3 |
| Ca2+ | 23.6 | 43.0 | 35.2 | 40.5 |
| Ligand | 27.7 | 0.0 | 0.0 | 0.0 |
| Water | 39.6 | 40.1 | 32.8 | 17.2 |
| Ramachandran plot | ||||
| Favored regions (%) | 97.7 | 98.1 | 97.1 | 95.8 |
| Additionally allowed (%) | 2.1 | 1.8 | 2.8 | 4.1 |