Extended Data Table 3.
Data collection and refinement statistics
| Native 2a | |
|---|---|
| Data collection | |
| Space group | C2221 |
| Cell dimensions | |
| a, b, c (Å) | 88.18, 154.81, 219.77 |
| α, β, γ (°) | 90, 90, 90 |
| Wavelength (Å) | 1.000 |
| Resolution (Å) | 38.7-2.7(3-2.7)b |
| Rmeas (%) | 15.9(928.4)c |
| I/σI | 10.0(0.23) |
| CC1/2 | 99.9(54.4)d |
| Completeness (%) | 98.7(98.1) |
| No. reflections | 41161 |
| Redundancy | 7.4(7.5) |
| Refinement | |
| Resolution (Å) | 38.7-2.87 (2.8 x 4.0 x 3.3)e |
| No. reflections | 21275 |
| Rwork/ Rfree | 0.2970/0.3394f |
| No. atoms | 5402 |
| Protein | 5282 |
| Ligand/ion | 63 |
| Water | 57 |
| B-factors | |
| Protein | 110.50 |
| Ligand/ion | 123.2 |
| Water | 75.80 |
| R.m.s deviations | |
| Bond lengths (Å) | 0.004 |
| Bond angles (°) | 0.744 |
a
Native 2 data collected from a single crystal.
b
Highest resolution shell is shown in parenthesis.
c
Redundancy independent R-factor calculated in XDS
d
Percentage of correlation between intensities from random half-datasets, as calculated in XDS.
e
Elliptically truncated data used for final refinement.
f
5% of reflections were omitted from refinement for the calculation of Rfree.