Table 1. Data and Refinement Statistics.
| Data collection statistics | VcDapET-apo | VcDapET-ZnZn | HiDapET-ZnZn |
| Space group | P32 | P32 | P21 |
| Unit cell (Å) | a = 49.6 | a = 49.9 | a = 61.7 |
| b = 49.6 | b = 49.9 | b = 44.7 | |
| c = 232.6 | c = 231.8 | c = 92.5 | |
| β = 92.9° | |||
| Resolution (Å) | 37.6-1.65 | 40-1.65 | 30-1.84 |
| Wavelength (Å) | 0.98 Å | 0.98 | 0.98 |
| Number of observed reflections | 523779 | 299329 | 99336 |
| Number of unique reflections | 77006 | 70716 | 42453 |
| Redundancyb | 6.8 (3.8) | 4.2(1.8) | 2.3(2.2) |
| R merge a , b (%) | 5.9 (50.1) | 5.1 (26.0) | 9.2 (55.7) |
| Rrim a , b (%) | 6.4 (56.7) | 5.8 (35.5) | 10.5(82.6) |
| Rpim a , b (%) | 2.4 (25.8) | 2.6 (23.1) | 6.5(51.0) |
| Completenessb (%) | 99.6 (93.8) | 91.3 (49.2) | 96.5 (97.8) |
| I/σ | 40 (2.3) | 23.2 (2.1) | 9.5 (2.1) |
| Phasing | |||
| phasing method | MR | MR | MR |
| Refinement statistics | |||
| R cryst (%) | 13.81 | 14.32 | 19.7 |
| R free (%) | 17.13 | 16.59 | 24.9 |
| protein residues | 532 | 513 | 505 |
| zinc ion/acetate/butanediol/glycerol/ethanediol/ | -/1/6/2/4 | 2/-/6/3/3 | 4/-/-/-/- |
| solvent | 541 | 541 | 284 |
| Rmsd from target values | |||
| bond lengths (Å) | 0.020 | 0.020 | 0.021 |
| bond angles (deg) | 2.11 | 1.43 | 2.03 |
| Average B factors (Å2) | |||
| protein | 14.78 | 14.77 | 27.7 |
| Zn | - | 13.93 | 26.1 |
| H2O | 28.10 | 24.19 | 38.7 |
| PDB ID | 4ONW | 4OP4 | 4H2K |
| Ramachandran (%)c M.F./A.A. | 97.5/2.5 | 97.3/2.7 | 96.8/3.0 |
a
R merge = ΣhklΣi|Ii ( hkl )−〈Ihkl〉|/ΣhklΣiIi (hkl), where Ii ( hkl ) is the ith observation of reflection hkl, and 〈Ihkl〉 is the weighted average intensity for all observations i of reflection hkl.
, and 
.
b
Numbers in parentheses are values for the highest-resolution bin.
c
As defined by MOLPROBITY (M.F. –the most favored/A.A additionally allowed).