Table 1. Data Collection and Refinement Statisticsa.
| data collection statistics | K188A |
|---|---|
| Wavelength (Å) | 1.0 |
| Resolution (Å) | 37.18–2.3 (2.174–2.099) |
| Space Group | P43212 |
| Cell Dimensions (Å) | a = b = 90.952, c = 129.123, α = β = γ = 90° |
| Unique Reflections | 29611 (3067) |
| Completeness (%) | 91.53 (96.78) |
| I/σ | 17.75 (2.81) |
| Wilson B-factor | 35.67 |
| refinement statistics | |
|---|---|
| Rwork (%) | 22.64 (34.44) |
| Rfree (%) | 26.08 (34.92) |
| Number of non-hydrogen atoms | 2948 |
| Number of macromolecule atoms | 2768 |
| Number of ligands atoms | 49 |
| Number of water molecules | 131 |
| Number of amino acid residues | 363 |
| Mean B-value (Å2) | 40.20 |
| Mean B-value protein (Å2) | 40.30 |
| Mean B-value ligands (Å2) | 39.20 |
| Mean B-value solvent molecules (Å2) | 38.60 |
| RMS deviation from ideal values: | |
| Bond lengths (Å) | 0.003 |
| Bond angles (deg.) | 0.692 |
| Residues in Ramachandran plot: | |
| Most favored regions (%) | 98 |
| Generously allowed regions (%) | 2.0 |
| Outliers (%) | 0.0 |
a
Statistics for the highest-resolution shell are shown in parentheses.