Table 2.
Data collection and refinement statistics of XacAbf51 crystal structure
| Data collection | |
|---|---|
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 91.34, 163.23, 114.42 |
| β (º) | 107.57 |
| Resolution (Å) | 48.74–1.91 (2.03–1.91) |
| Rmeas | 0.113 (0.639) |
| I/σI | 9.74 (2.06) |
| Completeness (%) | 95.1 (80.3) |
| Redundancy | 3.4 (2.8) |
| CC ½ | 99.6 (72.9) |
| Refinement | |
|---|---|
| Resolution (Å) | 48.74–1.91 |
| No. of reflections | 234,093 |
| Rwork/Rfree | 0.149/0.167 |
| Protein residues | 2964 (6 chains) |
| Ligands | 6 GOL |
| Water | 2384 |
| B-factors (Å2) | |
| Average | 24.64 |
| Protein | 24.00 |
| Ligand | 23.05 |
| Water | 30.75 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.0116 |
| Bond angles (°) | 1.5092 |
| Ramachandrana | |
| Favored (%) | 97 |
| Allowed (%) | 3 |
| Outliers (%) | 0 |
| MolProbity score | 1.00 |
| PDB code | 6D25 |
Values in parentheses are for highest resolution shell
aRamachandran data were calculated using MolProbity