Table 2.
Refinement statistics
| PDB code | 1ZEL |
|---|---|
| Resolution limits [Å] | 30.0 –1.93 |
| Data cutoff [F/σ(F)] | 0.0 |
| Completeness [%] | 99.9 |
| Total No. of reflections | 41,592 |
| No. of reflections in working set | 40,251 |
| No. of reflections in test set | 1,341 |
| R [%]a | 18.3 |
| Rfree [%]b | 22.4 |
| No. of amino acid residues | 588 |
| No. of protein atoms | 4,620 |
| No. of sodium ions | 2 |
| No. of acetate atoms | 8 |
| No. of MPD atoms | 8 |
| No. of formate atoms | 45 |
| No. of solvent atoms | 340 |
| R.m.s.d. bond lengths [Å] | 0.012 |
| R.m.s.d. bond angles [º] | 1.38 |
| Ramachandran plot [%]: most favored/additionally allowed region | 92/8 |
aR = Σhkl| |Fo| − |Fc| |/Σhkl|Fo| for all reflections, where Fo and Fc are observed and calculated structure factors, respectively
bRfree was calculated against 3.2% (1,341) of all reflections, randomly excluded from the refinement