Table 1. Data-collection and processing statistics.
Values in parentheses are for the outer shell.
| Wavelength (Å) | 0.90852 |
| Space group | P21212 |
| Unit-cell parameters (Å) | a = 135.8, b = 238.4, c = 78.5 |
| Molecules in asymmetric unit | 6 |
| Resolution range (Å) | 29.50–2.18 (2.30–2.18) |
| No. of observed reflections | 979090 |
| No. of unique reflections | 132886 |
| Wilson B factor (Å2) | 27.7 |
| Completeness (%) | 99.7 (98.8) |
| Multiplicity | 7.4 (7.0) |
| 〈I/σ(I)〉 | 28.5 (12.2) |
| Rmerge† | 0.049 (0.170) |
| Rwork‡ | 0.210 |
| Rfree‡ | 0.248 |
| R.m.s.d. bonds (Å) | 0.010 |
| R.m.s.d. angles (°) | 1.228 |
| Overall B factor (Å2) | |
| Protein | 25.8 |
| Water | 23.3 |
| Calcium | 33.6 |
| Ramachandran statistics (%) | |
| Preferred regions | 95.24 |
| Allowed regions | 3.72 |
| Outliers | 1.04 |
| PDB code | 3opu |
†
R
merge = 
, where I
i(hkl) is the intensity of the ith observation of reflection hkl and 〈I(hkl)〉 is the average over all observations of reflection hkl.
‡
R
work = 
, where F
obs and F
calc are the observed and calculated structure-factor amplitudes, respectively. R
free is R
work calculated using 5% of the data that were omitted from refinement.