Table 2.
Data collection and refinement statistics for TsaBgl.
| Data Collection | TsaBgl |
|---|---|
| Space group | P212121 |
| Cell dimensions a, b, c (Å) |
65.139, 71.293, 99.240 |
| Resolution (Å) | 50.0–1.70 (1.73–1.70) |
| Completeness | 98.4 (97.1) |
| Redundancy | 5.7 (4.1) |
| I/σ(I) | 16.50 (2.38) |
| Rmerge a | 0.135 (0.423) |
| CC1/2 | 0.979 (0.663) |
| CC* | 0.995 (0.893) |
| Refinement statistics | |
| Resolution (Å) | 49.67–1.70 |
| Rwork (%) b | 14.10 |
| Rfree (%) c | 18.23 |
| B-factor (Averaged) | |
| Protein | 17.37 |
| Tris | 29.07 |
| Solvent | 33.10 |
| R.m.s deviations | |
| Bond lengths (Å) | 0.013 |
| Bond angles (°) | 1.635 |
| Ramachandran plot (%) | |
| favored | 97.06 |
| allowed | 2.94 |
Highest resolution shell is shown in parentheses. a Rmerge = ΣhΣi|Ii(hkl)_<I(hkl)>|/ΣhΣiIi(hkl), where Ii(hkl) is the intensity of the ‘ith’ measurement of reflection hkl and <I(hkl)> is the weighted mean of all measurements of hkl. b Rwork = Σ||Fobs| − |Fcalc||/Σ|Fobs|, where Fobs and Fcalc are the observed and calculated structure-factor amplitudes, respectively. c Rfree was calculated as Rwork using a randomly selected subset (5%) of unique reflections not used for structure refinement.