Summary of diffraction data and selected refinement statistics
| Diffraction measurements | |||
| Wavelength, nm (Å) | 0.09789 (0.9789) | 0.09796 (0.9796) | 0.09537 (0.9537) |
| Resolution, nm (Å) | 3.5-0.26 (35.0-2.6) | 3.5-0.26 (35.0-2.6) | 3.5-0.26 (35.0-2.6) |
| Rsym, % (last shell, %)* | 0.057 (0.208) | 0.049 (0.192) | 0.052 (0.175) |
| Completeness, % (last shell, %) | 99.1 (94.5) | 98.2 (92.9) | 97.6 (56.1) |
| Current model and refinement statistics | |||
| R, Rfree (reflections)† | 0.216 (41 136) | 0.290 (3 612) | |
| Atoms, no. | |||
| Nonhydrogen | 9 687 | ||
| Protein | 9 509 | ||
| Water | 178 | ||
| R.m.s. deviations‡ | |||
| Bonds, nm (Å) | 0.00080 (0.0080) | ||
| Angles, deg | 1.67 | ||
| Diffraction measurements | |||
| Wavelength, nm (Å) | 0.09789 (0.9789) | 0.09796 (0.9796) | 0.09537 (0.9537) |
| Resolution, nm (Å) | 3.5-0.26 (35.0-2.6) | 3.5-0.26 (35.0-2.6) | 3.5-0.26 (35.0-2.6) |
| Rsym, % (last shell, %)* | 0.057 (0.208) | 0.049 (0.192) | 0.052 (0.175) |
| Completeness, % (last shell, %) | 99.1 (94.5) | 98.2 (92.9) | 97.6 (56.1) |
| Current model and refinement statistics | |||
| R, Rfree (reflections)† | 0.216 (41 136) | 0.290 (3 612) | |
| Atoms, no. | |||
| Nonhydrogen | 9 687 | ||
| Protein | 9 509 | ||
| Water | 178 | ||
| R.m.s. deviations‡ | |||
| Bonds, nm (Å) | 0.00080 (0.0080) | ||
| Angles, deg | 1.67 | ||
Deg indicates degrees.
Rsym indicates ςIHKL − < IHKL > ςIHKL, where IHKL is the intensity for one observation of a reflection and < > is the mean for all observations of that reflection.
R indicates ςFobs − Fcal/ςFobs, where Fobs and Fcal are the observed and calculated structure factor amplitudes, respectively. Rfree was calculated using the same formula as Rcrystal, but with only 8% of the total amplitudes chosen randomly.
R.m.s. deviation is the root-mean-square deviation from the expected bond lengths or angles.