Table 1.
Crystallographic statistics
| Inflection wavelength, 0.97887 Å | Peak wavelength, 0.97868 Å | Remote wavelength, 0.95373 Å | |
|---|---|---|---|
| Data collection | |||
| Total observations | 232,348 | 236,425 | 230,842 |
| Unique reflections | 56,118 | 56,164 | 56,056 |
| Resolution, Å | 25.1–2.00 | 25.1–2.00 | 24.1–2.00 |
| Highest resolution shell, Å | 2.11–2.00 | 2.11–2.00 | 2.10–2.00 |
| Completeness | 94.9 (95.2) | 95.2 (95.5) | 94.8 (95.1) |
| Rmerge | 0.027 (0.044) | 0.029 (0.044) | 0.026 (0.043) |
| Phasing* | |||
| Isomorphous phasing power | 9.17 | 8.28 | 3.51 |
| Anomalous phasing power | 3.76 | 4.26 | 3.51 |
| Overall figure of merit | 0.844 | ||
| Refinement | |||
| Resolution, Å | 25.1–2.0 | ||
| Number of protein atoms | 7,164 | ||
| Number of solvent atoms | 418 | ||
| Rfactor†/Rfree | 16.2/24.9 | ||
| rms deviations | |||
| Bond lengths, Å | 0.014 | ||
| Bond angles, ° | 1.86 | ||
| B factor correlations, Å2 | 4.1 |
Values in parentheses indicate the statistics for the highest-resolution shell.
*
These statistics are based on 22 selenium sites refined by sharp.
†
R = Σ∥Fobs|−|Fcalc∥/Σ|Fo|. In the deposited coordinates, all reflections were used in refinement, R = 0.167.