Table 2. Data collection and refinement statistics.* .
| Data Collection | |
| Space Group | P21 |
| Unit Cell Dimensions | a = 95.76 Å, b = 206.83 Å, c = 131.06 Å, β = 105.9° |
| Resolution (Å) | 25–3.2 (3.3–3.2) |
| Rmerge a | 9.7 (57.5) |
| I/σI | 14.26 (2.7) |
| Completeness (%) | 99.5 (100) |
| Redundancy | 3.8 (3.8) |
| Refinement | |
| Resolution (Å) | 25–3.2 |
| Number of Reflections | 75584 |
| Rwork/Rfree b | 23.7/29.6 |
| Number of Protein Atoms | 24185 |
| Number of Water Molecules | 48 |
| Average B-factor | 82.9 |
| R.M.S.D. Bond Lengths (Å) | 0.006 |
| R.M.S.D. Bond Angles (°) | 0.938 |
| Ramachandran Analysis | |
| Most Favored (%) | 95.6 |
| Allowed (%) | 99.9 |
*Highest resolution shell is shown in parentheses.
a
Rmerge = Σ|Ii-<I>|/ΣIi, where Ii is the ith measurement of the intensity of an individual reflection or its symmetry-equivalent reflections and <I> is the average intensity of that reflection and its symmetry-equivalent reflections.
b
Rwork = Σ||Fobs| − |Fcalc||/Σ|Fobs| for all reflections and R free = Σ||Fobs| − |Fcalc||/Σ|Fobs|, calculated on the 5% of data excluded from refinement.