Table 2.
Summary of Data Collection and Atomic Model Refinement Statistics.
| BpsβCA pH 7.5 | BpsβCA pH 8.5 | |
|---|---|---|
| PDB ID | 6YL7 | 6YJN |
| Wavelength (Å) | 1.0399 | 1.0000 |
| Space Group | P6422 | P6422 |
| Unit cell (a, b, c, α, β, γ) (Å,°) | 88.74;88.74;112.43; | 88.03;88.03;111.64; |
| 90.0;90.0;120.0 | 90.00;90.00;120.00 | |
| Limiting resolution (Å) | 45.37–3.16 (3.38–3.16) | 45.04–2.70 (2.83–2.70) |
| Unique reflections | 4858 (743) | 13330 (2141) |
| Rmerge (%) | 27.4 (265.4) | 26.0 (789.6) |
| Rmeas (%) | 28.08 (271.5) | 26.7 (811.5) |
| Redundancy | 24.7 (23.4) | 18.4 (18.6) |
| Completeness overall (%) | 99.7 (98.7) | 99.9 (99.6) |
| <I/σ(I)> | 10.42 (1.15) | 10.93 (0.34) |
| CC (1/2) | 99.8 (59.4) | 99.9 (32.1) |
| Refinement statistics | ||
| Resolution range (Å) | 45.412–3.166 | 45.080–2.701 |
| Unique reflections, working\free | 4605\3440 | 7508\7093 |
| Rfactor (%) | 19.26 | 21.4 |
| Rfree(%) | 29.62 | 32.4 |
| r.m.s.d. bonds(Å) | 0.0060 | 0.0052 |
| r.m.s.d. angles (°) | 1.5874 | 1.4987 |
| Ramachandran statistics (%) | ||
| Most favored | 79.3 | 82.9 |
| Additionally allowed | 17.8 | 11.4 |
| Outlier regions | 2.9 | 5.7 |
| Average B factor (Å2) | ||
| Solvent | 78.811 | 83.801 |