Table. 4.
Data collection and refinement statistics for NDM-1 K224R/G232A/N233Q
| Data collection | |
| Space group | P1 |
| Cell dimensions | |
| a, b, c (Å) | 46.17, 68.86, 68.44 |
| α, β, γ (°) | 92.23, 77.03, 91.84 |
| Resolution (Å) | 38.06–1.75 (1.81–1.75)a |
| R merge | 0.053 (0.325)a |
| I/σI | 17.6 (3.3)a |
| Completeness (%) | 91.07 (54.76)a |
| Redundancy | 2.3 (2.2)a |
| Refinement | |
| Resolution (Å) | 38.06–1.75 |
| No. reflections | 75370 |
| Rwork/Rfree | 0.1554/0.1990 |
| No. atoms | |
| Protein | 6807 |
| Zn | 8 |
| Water | 684 |
| B-factors | |
| Protein | 18.68 |
| Ligand/ion | 27.06 |
| Water | 28.75 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 0.78 |
Four molecules in the asymmetric unit
aValues in parentheses are for highest-resolution shell