Table 1. Data collection and refinement.
Values in parentheses are for highest-resolution shell. See Table 2 for a detailed description of GAD6765loop. R.M.S.D., root mean square deviation.
| Parameter | GAD6765loop |
|---|---|
| Data collection | |
| Space group | P21 |
| No. molecule/symmetric unit | 2 |
| Cell dimensions | |
| a, b, c (Å) α, β, γ (°) | 86.00, 64.08, 102.64 90.00, 108.14, 90.00 |
| Resolution (Å) | 54.8 (2.1) |
| Rmerge | 3.19 (16.3) |
| I / σI | 14.9 (4.0) |
| Completeness | 99.9 (99.9) |
| Redundancy | 3.7 (2.7) |
| Refinement | |
| Resolution (Å) | 2.1 |
| Numbe of reflections (work/free) | 62194/3149 |
| Rwork/Rfree | 21.7/25.3 |
| Number of atoms | |
| Protein | 7854 |
| Ligand | 36 |
| Water | 467 |
| R.M.S.D | |
| Bond lengths (Å) | 0.010 |
| Bond angles (°) | 1.14 |
| MolProbity analysis | |
| Ramachandran outliers | 0.10% |
| Ramachandran favoured | 97.36% |
| MolProbity score | 1.64 (95th percentile) |