Table 1. X-ray refinement statistics.
Resolution (Å) | 50–2.8 |
Rwork/Rfree | 0.241/0.274 |
Number of atoms | |
Protein | 13,012 |
Ligand/ion | 33 |
Water | 45 |
B-factors | |
Protein | 83.8 |
Ligand/ion | 64.4 |
Water | 59.4 |
R.m.s deviations | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.44 |
Rwork = Σ|Fo-Fc|/ΣFo. Rfree is the cross-validation of R-factor for the test set of reflections (5% of total) omitted in model refinement. R.m.s., root mean square.