Table 2.
Table of statistics for the data collection and subsequent model fitting of Ltp2-ChsH2DUF35 determined by Zn-SAD
A preliminary structure determined by Zn-SAD was used to solve (by molecular replacement) a higher resolution structure from a different crystal.
| Crystal | Zn-SAD | Native |
|---|---|---|
| Space group | P212121 | P212121 |
| a, b, c (Å) | 91.84, 110.15, 120.83 | 91.68, 110.56, 120.14 |
| Data collection | ||
| Resolution (Å) | 50–2.3 (2.36–2.3) | 39.94–1.7 (1.76–1.7)a |
| Wavelength (Å) | 1.2824 | 0.97857 |
| Reflections | ||
| Observed | 710,990 | 702,055 |
| Unique | 195,178 | 134,309 |
| Rmerge | 0.074 (0.843) | 0.0485 (0.724) |
| Rmeas | ||
| CC½ | 0.999 (0.807) | 0.999 (0.734) |
| I/σI | 14.0 (2.34) | 19.08 (2.23) |
| Completeness (%) | 100 (100) | 99.92 (99.97) |
| Multiplicity | 6.8 (6.8) | 5.2 (5.2) |
| Wilson B | 58 | 24.5 |
| Refinement | ||
| Resolution (Å) | 1.7 | |
| No. of reflections | 134,294 | |
| Rwork/Rfree | 14.9/16.8 | |
| CCa | 0.968 | |
| B-factors | ||
| Protein | 32.3 | |
| Solvent | 40.5 | |
| r.m.s.d. | ||
| Bond lengths (Å) | 0.003 | |
| Bond angles (degrees) | 0.736 | |
| Ramachandran | ||
| Favored (%) | 96.73 | |
| Allowed (%) | 3.17 | |
| Outliers (%) | 0.10 | |
a Values in parentheses represent statistics for the highest-resolution shell.