Refinement statistics
Example for a refinement statistics table
| Resolution (Å) | 25.0 - 1.9 |
| Reflections work set/test set | 75935 / 2347 |
| Non-hydrogen atoms | 8504 |
| Rwork / Rfree | 0.196 / 0.234 |
| Average B-factor (Å2) | 32.5 |
| protein (no. of atoms) | 31.8 (7734) |
| NAD+ (no. of atoms) | 45.6 (88) |
| Maltose (no. of atoms) | 44.6 (46) |
| Water (no. of atoms) | 38.2 (646) |
| r.m.s.d. bond length (Å) | 0.013 |
| r.m.s.d. bond angles (°) | 1.53 |
| Ramachandran plot * | |
| Most favored (%) | 90.4 |
| Additional allowed (%) | 7.0 |
| Generously allowed (%) | 2.6 |
| Disallowed (%) | 0.0 |
| * As defined in the program Molprobity in "Multimetric validation" or after refinement with REFMAC. | |