Table 1.
Refinement statistics
| Ligand | Free PriA[1–105] | PriA[1–105] complex with | ||||
|---|---|---|---|---|---|---|
| d(AA) | d(AC) | d(AG) | d(AT) | d(CCC) | ||
| Resolution range (Å) | 20.0–2.52 | 20.0–3.30 | 20.0–3.20 | 20.0–3.35 | 20.0–3.15 | 20.0–3.0 |
| No. reflections (work/test) | 18 496/1418 | 8466/633 | 8987/685 | 8152/646 | 9894/763 | 11 132/859 |
| Rwork/Rfree | 24.9/29.5 | 26.0/30.9 | 24.7/30.2 | 28.1/33.3 | 27.1/31.8 | 23.8/29.3 |
| Number of copies in AU | ||||||
| Protein | 4 | 4 | 4 | 4 | 4 | 4 |
| Ligand | 0 | 4 | 2 | 2 | 3 | 1 |
| Number of atoms | ||||||
| Protein | 3296 | 3267 | 3296 | 3296 | 3296 | 3217 |
| Ligand | — | 84 | 77 | 38 | 78 | 19 |
| Water | 56 | — | — | — | — | — |
| B-factors | ||||||
| Protein | 74.82 | 94.968 | 87.962 | 108.36 | 104.01 | 89.458 |
| Ligand | — | 148.61 | 135.83 | 132.14 | 130.94 | 149.59 |
| R.m.s. deviations | ||||||
| Bond lengths (Å) | 0.008 | 0.005 | 0.010 | 0.011 | 0.009 | 0.009 |
| Bond angles (deg) | 1.5 | 1.2 | 1.7 | 1.7 | 1.9 | 1.6 |
| Ramachandran plot | ||||||
| Most favored (%) | 94.3 | 80.7 | 85.2 | 88.6 | 87.5 | 90.7 |
| Additionally allowed (%) | 4.5 | 19.2 | 13.6 | 11.4 | 12.5 | 7.0 |
| Generously allowed (%) | 1.1 | 0 | 1.1 | 0 | 0 | 2.3 |
| Disallowed (%) | 0 | 0 | 0 | 0 | 0 | 0 |
| PDB entry | 2D7E | 2D7G | 2DWL | 2DWN | 2DWM | 2D7H |
| Each data set was collected from a single crystal. Data collection statistics were reported previously (Sasaki et al, 2006). | ||||||