Table I.
X-ray data processing and refinement statistics
| Data collection | |
| Wavelength (Å) | 1.00 |
| Space group | P3 |
| Unit cell parameters | |
| a, b, c (Å) | 165.73, 165.73, 122.86 |
| α, β, γ(°) | 90.0, 90.0, 120.0 |
| Resolution (Å) | 100-2.64 (2.69-2.64)a |
| Unique reflections | 110878 |
| Rmerge | 0.172 (0.619) |
| Redundancy | 7.9 (6.7) |
| Completeness (%) | 100 (100) |
| <I/σI> | 23.4 (2.5) |
| Refinement | |
| Resolution (Å) | 49.62-2.64 |
| Rwork/Rfreeb | 0.266/0.285 |
| Twin law (-h, -k, l) | 0.47 |
| Number of protein atoms | 22994 |
| Number of water molecules | 40 |
| Rms deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 1.2 |
| B-factors (Å2) | |
| Protein | 57.3 |
| Water | 20.7 |
| Ramachandran plotc | |
| Most favored regions (%) | 82.1 |
| Allowed regions (%) | 16.8 |
| Generously allowed regions (%) | 1.1 |
| Disallowed regions (%) | 0 |
a
Values in parentheses are for highest-resolution shell.
b
Rwork and Rfree are defined as Σ||Fobs|-|Fcalc||/Σ|Fobs| for the reflections in the working or the test set, respectively.
c
As defined by PROCHECK (46).