Table 1. Data-collection and refinement statistics.
Values in parentheses are for the outermost shell.
| Data collection | |
| X-ray source | I04-1, Diamond Light Source |
| Wavelength () | 0.917 |
| Space group | C2 |
| Unit-cell parameters () | a = 129.32, b = 63.74, c = 59.84, = 90, = 107.6, = 90 |
| Resolution () | 221.72 (1.761.72) |
| R merge † | 0.066 (0.704) |
| I/(I) | 17.3 (2.8) |
| Mosaicity () | 0.2 |
| Completeness (%) | 99.2 (99.8) |
| Multiplicity | 6.8 (6.8) |
| Refinement | |
| No. of reflections | 331889 (24579) |
| No. of unique reflections | 48927 (3613) |
| R cryst ‡ | 0.17 |
| R free ‡ | 0.206 |
| No. of atoms | |
| Protein | 3574 |
| Water | 260 |
| No. of phosphate ions | 3 |
| No. of potassium ions | 2 |
| Average B factors (2) | |
| Protein | 23.2 |
| Phosphate (PO4 3) | 35.5 |
| Potassium (K+) | 13.7 |
| Waters | 31.6 |
| R.m.s. deviations | |
| Bond lengths () | 0.018 |
| Bond angles () | 1.93 |
| Ramachandran statistics (%) | |
| Most favoured | 98.9 |
| Generously allowed | 1.1 |
| Disallowed | 0 |
| MolProbity all-atom clashscore | 10.48 |
†
R
merge = 
.
‡
R
cryst = 
, where F
obs and F
calc are the observed and calculated structure-factor amplitudes, respectively. R
free is calculated as for R
cryst but using a random 5% subset of the data excluded from the refinement.