Table 2.
Data collection and refinement statistics.
| PDB Code | ClG-Gapped Binary 6CLY |
ClG:C-Mg2+ Ternary 6CPQ |
ClG:G-Mg2+ Ternary 6CRH |
|---|---|---|---|
| Space Group | P21 | P21 | P21 |
| Cell constants | |||
| a (Å) b c α (°) β γ |
54.772 79.668 54.967 90.00 105.60 90.00 |
50.829 80.243 55.836 90.00 107.80 90.00 |
54.985 79.622 55.179 90.00 107.88 90.00 |
| Resolution (Å) a | 20–2.18 (2.22–2.18) |
20–1.93 (1.96–1.93) |
20–2.33 (2.37–2.33) |
| Rmerge b (%) | 0.090 (0.548) |
0.051 (0.247) |
0.096 (0.488) |
| <I/σ> | 20.8 (1.86) |
31.2 (4.31) |
20.1 (2.36) |
| Completeness (%) | 100 (99.9) |
100 (100) |
100 (100) |
| Redundancy | 5.4 (5.1) |
4.7 (4.2) |
5.6 (5.4) |
| Refinement | P21 | P21 | P21 |
| Rwork c/Rfree d (%) | 21.8/ 26.8 |
19.1/ 23.9 |
19.7/ 24.3 |
| Unique reflections | 23552 | 32119 | 19481 |
| mean B factor (Å2) | |||
| Protein | 36.3 | 23.3 | 41.2 |
| Ligand | 34.5 | 27.7 | 37.6 |
| Solvent | 33.3 | 32.6 | 38.0 |
| Ramachandran plot | |||
| Most favored (%) |
96.3 | 98.5 | 97.2 |
| Add. allowed (%) | 3.4 | 1.5 | 2.8 |
| RMSD bond lengths (Å) bond angles (º) |
0.004 0.086 |
0.005 1.183 |
0.006 1.291 |
a Values in parentheses are for the highest resolution shell; b Rmerge = Σ|I-<I>|/ΣI, where I is the integrated intensity of a given reflection; c. Rwork = Σ|F(obs) − F(calc)|/ΣF(obs); d. Rfree = Σ|F(obs) − F(calc)|/ΣF(obs), calculated using 5% of the data.