Table 1A.
Data collection | |
| |
Cell parameters (Å) |
a = 167.074, b = 167.074, c = 65.156 α = β = 90°, γ = 120° |
Space group | P321 |
Wavelength (Å) | 0.9794 |
Resolution (Å) | 50 (2.95) – 2.9 |
No. of all reflections | 233550 |
No. of unique reflections | 23503 |
Completeness (%) | 99.9 (100) |
Redundacy | 9.9 (10.1) |
I/σI | 6.2 (2.7) |
Rmerge (%) | 9.4 (66.9) |
| |
Refinement | |
| |
Resolution (Å) | 50 – 2.9 |
Total No. of reflections | 23501 |
No. of reflections used | 22293 |
Rwork/Rfree (%) | 25.5/26.8 |
No. of atoms | 3875 |
Protein | 3836 |
Water | 3 |
SSA | 1 |
PO43− | 1 |
Mg2+ | 2 |
R.m.s. deviations | |
Bond lengths (Å) | 0.007 |
Bond angle (°) | 1.0 |
Average B-factors (Å2) | 69.7 |