Table 1.
Data collection, phasing and refinement statistics*
| ssVKOR C50A before dehydration | ssVKOR C50A after dehydration | ssVKOR C212A | |
|---|---|---|---|
| Data collection | |||
| Space group | C2221 | C2 | P61 |
| Cell dimensions | |||
| a, b, c (Å) | 130.8, 142.5, 69.0 | 140.8, 118.8, 68.0 | 139.6, 139.6, 68.7 |
| α,β,γ (°) | 90, 90, 90 | 90, 89.8, 90 | 90, 90, 120 |
| Resolution (Å) | 50-3.6 | 50-2.8 | 50-4.2 |
| Rsym or Rmerge | 0.067 (0.922) | 0.078 (0.762) | 0.111 (0.949) |
| I/σI | 33.7 (1.6) | 15.2 (1.7) | 16.4 (2.3) |
| Completeness (%) | 98.9 (95.1) | 99.8 (100.0) | 99.9 (100.0) |
| Redundancy | 6.9 (6.0) | 3.6 (3.8) | 9.5 (9.5) |
| Refinement | |||
| Resolution (Å) | 50-3.6 | 50-2.8 | 50-4.2 |
| No. reflections | 6,578 | 24,812 | 5,713 |
| Rwork/ Rfree | 27.4/32.2 | 23.2/24.5 | 29.9/33.1 |
| No. atoms | |||
| Protein | 1994 | 3931 | 1994 |
| Ligand/ion | 32 | 64 | 32 |
| Water | 0 | 0 | 0 |
| B-factors | |||
| Protein | 71.6 | 39.9 | 91.4 |
| Ligand/ion | 122.8 | 66.5 | 86.1 |
| Water | N/A | N/A | N/A |
| R.m.s deviations | |||
| Bond lengths (Å) | 0.005 | 0.005 | 0.005 |
| Bond angles (°) | 1.078 | 0.900 | 0.842 |
*
In each case, the data were collected from one crystal.