Table 1.
Crystal parameters, data collection, and refinement statistics for the native data collected at European Synchrotron Radiation Facility (ESRF) ID14eh1
| Crystal parameters and data collection | |
| Cell dimensions (space group C2) | |
| a, Å | 64.45 |
| b, Å | 53.20 |
| c, Å | 133.47 |
| β, ° | 121.86 |
| Solvent content, % | 47.5 |
| Resolution, Å | 2.2 |
| Total no. of observations | 276,703 |
| No. of unique observations | 64,530 |
| Mosaicity, ° | 1.1 |
| Data completeness, % | 96.0 (92.8) |
| I/σI | 8.8 (4.0) |
| Redundancy | 4.3 (4.2) |
| Rmerge* | 0.17 (0.39) |
| Data refinement | |
| Nonhydrogen atoms | |
| Protein (residues) | 6,817 (823) |
| Water | 438 |
| PO42− ligand | 15 |
| Resolution, Å | 2.2 |
| Rfactor† | 0.27 |
| Rfree | 0.28 |
| Rmsds from ideality | |
| Bond lengths, Å | 0.015 |
| Bond angles, ° | 1.788 |
| Ramachandran plot | |
| Most favored, % | 86.6 |
| Allowed region, % | 11.6 |
| Generously allowed region, % | 1.2 |
| Disallowed, % | 1.6 |
The values in parentheses are for the highest-resolution bin (approximate interval 0.15 Å).
*Rmerge = Σ((Ihkl − 〈Ihkl〉)2)/Σ(Ihkl2).
†Rfactor = Σhkl ‖Fo| − Fe|/Σhkl|Fo| for all data except for 5%, which was used for free R calculation.