Table 1.
Crystallographic Data and Refinement Statistics
| Diffraction statistics | |
| Space group | P 21 21 21 |
| Cell parameters | |
| a, b, c (Å) | 61.697, 61.533, 174.936 |
| α, β, γ (o) | 90.0, 90.0, 90.0 |
| Data resolution (Å) | 42.37 − 2.20 (2.28 − 2.20) |
| Completeness (%) | 87.5 (69.3) |
| Redundancy | 5.6 (3.6) |
| Unique reflections | 25,757 (1,298) |
| R-mergea (%) | 8.8 (28.3) |
| Average I/σ | 33.8 (6.6) |
| Refinement statistics | |
| Refinement resolution (Å) | 42.37 − 2.20 (2.257 − 2.20) |
| R-factorb (%) | 17.1 (18.3) |
| R-freec (%) | 22.4 (30.0) |
| Rms deviations | |
| Bond length (Å) | 0.014 |
| Bond angles (o) | 1.398 |
| Average B-factor (Å2) | 15.41 |
| PDB Code | 2R0O |
Values in parentheses correspond to highest resolution shell
a
R-merge=Σ(I-<I>)/ΣI; I and <I> are the intensity and the mean value of all the measurements of an individual reflection
b
R-factor=Σ|Fo - Fc|/Σ|Fo|; Fo and Fc are the observed and calculated structure factors
c
R-free; R-factor calculated for a randomly selected subset of the reflections (5%) that were omitted during the refinement