Table 1. Data-collection, processing and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Wavelength (Å) | 0.9186 |
| No. of images | 392 |
| Space group | P21 |
| Unit-cell parameters (Å, °) | a = 255.4, b = 350.4, c = 271.6, β = 90.34 |
| Resolution (Å) | 50–2.7 (2.8–2.7) |
| Total No. of reflections | 16673125 |
| No. of unique reflections | 1210268 (123000) |
| Crystal mosaicity (°) | 0.3–0.5 |
| Completeness (%) | 93.1 (94.7) |
| R merge † (%) | 13.2 (37.8) |
| Multiplicity | 2.6 (2.4) |
| 〈I/σ(I)〉 | 6.9 (2.4) |
| V M (Å3 Da−1) | 2.1 |
| R factor‡/R free § (%) | 23.9/23.9 |
†
R
merge = 
× 100, where Ii(hkl) is the intensity of an individual reflection with indices hkl and 〈I(hkl)〉 is the average intensity of all symmetry-equivalent measurements of that reflection; the summation is over all intensities.
‡
R factor = 
× 100, where F
obs and F
calc are the observed and calculated structure-factor amplitudes, respectively.
§
R free is calculated in the same way as the R factor, except that it uses 5% of the reflection data partitioned from the refinement process.