Table 1. Summary of data-collection and refinement statistics.
| Data-collection statistics | |
| Wavelength () | 1.000 |
| Space group | P212121 |
| Unit-cell parameters () | a = 39.8, b = 59.3, c = 77.6 |
| Resolution range () | 50.01.80 (1.861.80) |
| Observed reflections | 122381 |
| Unique reflections | 17786 |
| Data completeness (%) | 99.1 (93.0) |
| Redundancy | 6.9 (6.3) |
| R merge † | 0.066 (0.335) |
| I/(I) | 30.7 (3.4) |
| Refinement statistics | |
| Resolution range () | 50.01.80 |
| R factor (%) | 19.0 |
| R free (5.0% total data) (%) | 22.7 |
| No. of reflections used for refinement | 16686 |
| No. of protein residues | 86 (chain A) and 90 (chain B) |
| No. of Ca2+ ions | 4 |
| No. of water molecules | 101 |
| Average B values (2) | |
| Protein atoms | 25.4 |
| Ca2+ ions | 23.1 |
| Water O atoms | 38.5 |
| R.m.s. bond-length deviations () | 0.017 |
| R.m.s. bond-angle deviations () | 1.378 |
| Ramachandran plot | |
| Most favoured regions (%) | 93.3 |
| Additional allowed regions (%) | 6.7 |
| Generously allowed regions (%) | 0 |
| Disallowed regions (%) | 0 |
†
R
merge = 
, where I
i(hkl) is the ith observation of reflection hkl and 
is the weighted average intensity for all observations i of reflection hkl.