Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Crystal dimensions (mm) | 1.3 × 0.5 × 0.5 |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 45.78, b = 67.73, c = 94.54 |
| Mosaicity (°) | 0.6 |
| Protein molecules per asymmetric unit | 2 |
| Matthews coefficient VM (Å3 Da−1) | 2.51 |
| Solvent content (%) | 51.1 |
| Radiation source | BESSY BL14.1 |
| Wavelength (Å) | 0.9184 |
| Temperature (K) | 100 |
| Detector | MX-225 CCD |
| Resolution range (Å) | 50–1.71 (1.76–1.71) |
| No. of observed reflections | 161694 |
| No. of unique reflections | 31245 |
| Multiplicity | 5.2 (2.9) |
| Completeness (%) | 96.2 (71.8) |
| Rmerge† (%) | 4.7 (43.0) |
| 〈I/σ(I)〉 | 29.9 (2.2) |
| Refinement | |
| No. of reflections in working set | 29886 |
| No. of reflections in test set | 1280 |
| Resolution range (Å) | 41.20–1.71 |
| No. of non-H atoms | 2075 |
| Protein | 1843 |
| Solvent | 232 |
| R‡ (%) | 18.2 |
| Rfree§ (%) | 21.1 |
| R.m.s. deviations from ideal | |
| Bonds (Å) | 0.018 |
| Angles (°) | 1.59 |
| Mean B factor (Å2) | 45.8 |
| Protein | 44.9 |
| Solvent | 52.8 |
| Ramachandran statistics (%) | |
| Most favoured regions | 92.5 |
| Additional allowed regions | 7.5 |
†
R
merge = 
, where Ii(hkl) is the ith measurement of the intensity of reflection hkl and 〈I(hkl)〉 is the mean intensity of reflection hkl.
‡
R = 
for all reflections, where F
obs and F
calc are the observed and calculated structure factors, respectively.
§
R free is calculated analogously to R for test reflections which were randomly selected and excluded from the refinement.