Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Resolution range () | 26.142.70 (2.802.70) |
| Space group | P31 |
| Temperature (K) | 100 |
| Wavelength () | 1.5418 |
| Unit-cell parameters | |
| a () | 44.59 |
| b () | 44.59 |
| c () | 141.97 |
| () | 90.00 |
| () | 90.00 |
| () | 120.00 |
| Unique reflections | 9164 (895) |
| Completeness (%) | 93.9 (88.6) |
| Redundancy | 2.7 (2.0) |
| Mean I/(I) | 10.22 (1.53) |
| R merge † | 0.175 (0.614) |
| Refinement | |
| Resolution range () | 18.882.70 |
| R cryst ‡ | 0.236 |
| R free ‡ | 0.276 |
| Matthews coefficient (3Da1) | 2.79 |
| Solvent content (%) | 55.88 |
| Mean temperature factor (2) | 42.30 |
| R.m.s.d. bond lengths () | 0.012 |
| R.m.s.d. bond angles () | 1.221 |
| Ramachandran statistics | |
| Residues in most favoured regions (%) | 90.1 |
| Residues in additional allowed regions (%) | 9.0 |
| Residues in generously allowed regions (%) | 0.9 |
| Residues in disallowed regions (%) | 0 |
†
R
merge = 
, where I(hkl) is the mean intensity of i reflections with intensities I
i(hkl) and common indices hkl.
‡
R
cryst and R
free = 
; R
free was calculated for a 4.7% set of reflections excluded from refinement.