Table 1.
Statistics of data collection, molecular replacement, and refinement
| Diffraction datasets | |
| Resolution, Å | 2.5 |
| Unique reflection | 7,730 |
| Rmerge* (outer bin) | 0.039 (0.399) |
| Compl., % (outer bin) | 92.8 (72.9) |
| Redundancy | 6.2 |
| Refinement | |
| No. of residues | 167 |
| No. of nonhydrogen atoms | 1,068 |
| No. of solvents | 24 |
| No. of Ni | 1 |
| No. of Cl | 1 |
| Resolution range, Å | 20–2.5 |
| R† (outer) | 0.226 (0.357) |
| Rfree† (outer) | 0.258 (0.405) |
| rmsd bond, Å | 0.017 |
| rmsd bond angle, ° | 1.514 |
| rmsd chiral, ° | 0.088 |
*Rmerge = ∑|I − 〈I〉|/∑I, where I and 〈I〉 are the observed intensity and the mean intensity of the same reflection from multiple measurements. Summation is over all reflections.
†R = ∑(|Fo| − |Fc|)/∑|Fo|, where Fo is the measured structure factor and Fc is the calculated structure factor from the model.