Table 1. Data Collection and Refinement Statistics.
| Data Collection | |
| Wavelength (Å) | 1.127 |
| Space group | P212121 |
| Cell dimensions: a,b,c (Å) | 27.1, 51.2, 71.8 |
| Resolution (Å) | 70–2.00 (2.07–2.00) |
| Reflections: Measured/Unique | 32635/6846 |
| Completeness (%) | 97.8 (82.9) |
| Mean redundancy | 4 (3) |
| <I/σI> | 20.7 (4.8) |
| Rsym a | 0.07 (0.22) |
| Refinement | |
| Resolution (Å) | 29.4–2.00 (2.15–2.00) |
| Rb/Rfree (%)c | 17.1 (16.4)/18.3 (18.7) |
| Reflections: R/Rfree | 6158/688 |
| Total atoms: Protein/Water | 769/106 |
| Stereochemical ideality (rmsd): Bonds/Angles (Å/°) | 0.007/0.980 |
| Mean B-factors (Å2): Protein/Water | 15.9/25.3 |
| Ramachandran analysis: Favored/Allowed (%) | 97.0/3.0 |
| Parentheses list statistics for the high resolution shell | |
a
Rsym = ∑|Ii−<l>|/∑I where Ii is the integrated intensity of the i-th observation and<I>is the mean intensity of the reflections over Friedel and symmetry equivalents.
b
R value = ∑(|Fobs|−k|Fcalc|)/∑|Fobs|.
c
Rfree is calculated using a 10% subset of the data that are removed randomly from the original data and excluded from refinement.