Table 1.
Crystal, data collection, and refinement statistics for F22Y/K232G/R238H/A272G 2,5-DKGRA in complex with NADH
| Crystal data | |
| Space group | C2 |
| Cell constants | a = 111.95 Å, b = 55.24 Å, c = 51.54 Å, β = 111.7° |
| Molecules/asymmetric unit | 1 |
| Matthews coefficient (Vm) Å3/D | 2.2 |
| Resolution range (Å) | 27.0–2.0 |
| Data collection and processing | |
| Total/unique reflections | 242,073/18,364 |
| Completion (%; 27.0–2.0 Å) | 92.9 |
| Completion (%; 2.05–2.0 Å) | 83.3 |
| I/σ (overall) | 16.6 |
| I/σ (2.05–2.0 Å) | 4.2 |
| Rmerge (%) | 11.4 |
| Wilson temperature factor (Å2) | 15.0 |
| Refinement | |
| Rcryst (%; 27.0–2.0 Å) | 21.4 |
| Rfree (%; 27.0–2.0 Å) | 26.1 |
| R.m.s. bond length deviation (Å) | 0.008 |
| R.m.s. bond angle deviation (°) | 1.5 |
| R.m.s. B factor deviation (σ)a | 2.1 |
a Library of Tronrud (Tronrud 1996).