Table 2.
Data collection | |
X-ray source | SPring-8 BL44XU |
Wavelength (Å) | 0.9000 |
Space group | C2 |
Unit cell a, b, c (Å) | 105.08, 43.17, 56.03 |
Unit cell α, β, γ (°) | 90.00, 110.76, 90.00 |
Resolution range (Å) | 49.13–1.60 (1.63–1.60)a |
Total no. of reflections/no. of unique reflections | 103,494 (5156)/30,851 (1493) |
Completeness (%) | 99.1 (99.5) |
Redundancy | 3.4 (3.5) |
〈I/σ(I)〉 | 11.9 (2.8) |
Rmeas (all I+ & I−) | 0.067 (0.668) |
Rmeas (within I+/I−) | 0.065 (0.628) |
CC1/2 | 0.998 (0.835) |
Refinement | |
Resolution range (Å) | 30.80–1.60 (1.65–1.60) |
Completeness (%) | 98.8 (99.0) |
No. of reflections, working set | 30,833 (3054) |
No. of reflections, test set | 1510 (138) |
Rwork/Rfree | 0.177/0.213 (0.236/0.245) |
No. of non-H atoms | 2167 |
Protein | 1885 |
Ion/Ligand | 54 |
Water | 232 |
R.m.s. deviation bonds (Å), angles (°) | 0.006, 0.87 |
Average B factors (Å2) | 23.61 |
Protein | 22.29 |
Ion/Ligand | 34.89 |
Water | 31.84 |
Ramachandran favoured/allowed/disallowed (%) | 98.25/1.75/0 |
PDB code ID | 7VPY |
aValues in parentheses refer to the highest resolution shell.