Table 1. Data-collection and refinement statistics for SeMet PatG-DUFsp.
Anomalous data were collected using a single crystal on beamline I02 at the Diamond Light Source. Statistics are average values; values for the highest resolution shell are given in parentheses.
| Data collection | |
| Wavelength () | 0.9797 |
| Space group | P21212 |
| Unit-cell parameters (, ) | a = 64.1, b = 96.2, c = 40.2, = = = 90.0 |
| Resolution () | 53.171.72 (1.771.72) |
| I/(I) | 12.1 (3.4) |
| R merge (%) | 14.5 (89.6) |
| Completeness (%) | 99.9 (100) |
| Multiplicity | 14.0 (11.3) |
| Anomalous completeness (%) | 99.9 (99.9) |
| Anomalous multiplicity | 7.3 (5.7) |
| Initial map correlation | 0.4 |
| Refinement | |
| R factor (%) | 17.5 (23.9) |
| R free (%) | 20.0 (29.5) |
| R.m.s.d., bond lengths () | 0.005 |
| R.m.s.d., bond angles () | 0.932 |
| No. of non-H atoms | |
| Protein atoms | 2109 |
| Solvent atoms | 269 |
| Heterogen atoms | 1 |
| B factors (2) | |
| All | 26.0 |
| Protein | 25.1 |
| Ligand (Zn2+) | 12.9 |
| Water | 32.8 |