Table 1.
Data collection and refinement statistics
| Data collection | |
|---|---|
| PDB code | 3RBG |
| Space group | C2221 |
| Unit cell length (Å) | a = 116.020, b = 116.291, c = 79.018 |
| Unit cell angles (deg) | α = 90.0, β = 90.0, γ = 90.0 |
| Wavelength (Å) | 1.081 |
| Resolution range (Å) | 2.32 – 40.0 (2.32 – 2.36) |
| Unique reflections (N) | 23,676 (1168) |
| Redundancy | 5.5 (5.6) |
| Completeness | 98.9 (99.8) |
| Rmergea | 0.076 (0.462) |
| <I/σ> | 21.7 (4.9) |
| Refinement | |
| Resolution range (Å) | 2.32 – 28.47 (2.32 – 2.36) |
| Rworkb | 0.198 (0.278) |
| Rfree | 0.234 (0.327) |
| Average B factor (Å2) | 30.1 |
| rms bond (Å) | 0.013 |
| rms angle (deg) | 1.453 |
| Residues in most favored region (%) | 96.21 |
| Residues in additionally allowed region (%) | 3.52 |
| Residues in generously allowed region (%) | 0 |
| Residues in unfavorable region (%) | 0.27 |
a
Rmerge = Σ|Ih−〈 Ih 〉|/ΣIh, where h is the reflection index and Ih is the average intensity over symmetry equivalents
b
Rwork = Σ|Fc − Fo|/ΣFo
c
Rfree calculated as Rwork on a subset (5%) of the reflection data that is not included in the refinement calculation.
Values in parenthesis correspond to the highest resolution bin.