Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| X-ray source | Beamline 5C, PAL |
| Wavelength (Å) | 0.9795 |
| Resolution range (Å) | 50–1.9 (1.93–1.90) |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 69.1, b = 72.6, c = 97.1 |
| No. of observed reflections | 195578 |
| No. of unique reflections | 39033 |
| Completeness (%) | 99.1 (98.1) |
| R merge † (%) | 5.5 (9.6) |
| Mean I/σ(I) | 32.7 (26.9) |
| Multiplicity | 5.0 (5.1) |
| Refinement statistics | |
| Resolution range (Å) | 40–1.9 |
| R work/R free ‡ (%) | 15.8/19.4 |
| No. of atoms | |
| Protein | 3526 |
| Diplacone | 31 |
| Ca2+ | 2 |
| Water | 574 |
| Average B factors (Å2) | |
| Protein | 31.2 |
| Diplacone | 50.1 |
| Ca2+ | 36.4 |
| Water | 41.7 |
| R.m.s. deviations from ideal geometry | |
| Bond lengths (Å) | 0.012 |
| Bond angles (°) | 1.30 |
| Ramachandran plot | |
| Most favoured regions (%) | 96.2 |
| Allowed regions (%) | 3.8 |
| PDB code | 4l2e |
†
R
merge = 
, where I(hkl) is the intensity of reflection hkl, 
is the sum over all reflections and 
is the sum over i measurements of reflection hkl.
‡
R
work = 
|; R
free is the R value calculated for 5% of the data set that was not included in the refinement.