Table I.
Data and Model Statistics for the 2.4 Å Structure of Rabbit Muscle Pyruvate Kinase in Complex With Pyruvate and Proline
| Wavelength | 1.54 Å |
| Space group | P 1 |
| Unit cell | a = 82.4, b = 108.7, c = 144.3 (Å) |
| α = 95.2, β = 93.4, γ = 112.2 (°) | |
| Resolution limits | 36.6–2.4 Å |
| Unique reflections | 139,524 |
| Completenessa (%; all data) | 83 (70) |
| Redundancya | 3.5 (3.0) |
| I/σ(I)a | 8.5 (2.1) |
| Rmergea | 0.09 (0.43) |
| Molecules/ASU | 8 |
| Rwork | 20.6 (30.1)% |
| Rfree | 26.8 (39.1)% |
| Average B factor (Å2) | Protein: 28.4 |
| Pyruvate: 20.5 | |
| Proline: 26.8 | |
| Water: 24.8 | |
| Estimated coordinate error based on maximum likelihood | 0.23 Å |
| Bond length RMSD | 0.02 Å |
| Bond angle RMSD | 1.97° |
a
Values in parentheses represent statistics for data in the highest resolution shells. The highest resolution shell comprises data in the range of 2.49–2.4 Å.