Table 2. Refinement statistics.
Values in parentheses are for the highest resolution shell.
| Crystal | Xtal1 | Xtal2 | Xtal3 |
|---|---|---|---|
| PDB code | 2j8b | 2uwr | 2ux2 |
| Refinement resolution range () | 201.15 (1.181.15) | 201.8 (1.851.8) | 401.35 (1.441.35) |
| R factor (%) | 16.36 (20.0) | 18.62 (18.85) | 20.21 (25.56) |
| R free (%) | 19.68 (20.0) | 22.32 (26.28) | 22.31 (30.22) |
| R.m.s.d. bonds () | 0.010 | 0.004 | 0.006 |
| R.m.s.d. angles () | 1.407 | 0.827 | 1.120 |
| Ramachandran favoured (%) | 98.7 | 96.0 | 97.4 |
| Ramachandran generously allowed (%) | 1.3 | 4 | 2.6 |
| Ramachandran outliers (%) | 0 | 0 | 0 |
| No. of reflections | 23463 | 20879 | 11863 |
| No. of protein atoms | 676 | 1917 | 680 |
| No. of waters | 117 | 213 | 93 |
| No. of other atoms | 0 | 0 | 8 |
| Mean B, protein atoms (2) | 11.1 | 17.2 | 17.7 |
| Mean B, main chain (2) | 9.9 | 14.2 | 13.9 |
| Mean B, side chain (2) | 12.3 | 20.1 | 21.3 |
| Mean B, water atoms (2) | 23.5 | 28.2 | 28.3 |