Table 2. Data Collection and Refinement Statistics.
| N146K | E150K | N146K/E150K | |
|---|---|---|---|
| Diffraction Data Statisticsa | |||
| wavelength (Å) | 1.541 79 | 1.541 79 | 0.872 90 |
| space group | P212121 | P212121 | P212121 |
| a, b, c (Å) | 81.7, 102.3, 187.1 | 81.4, 101.6,186.8 | 81.6, 101.8, 186.5 |
| α = β = γ | 90 | 90 | 90 |
| T (K) | 120 | 120 | 100 |
| X-ray source | rotating anode | rotating anode | synchrotron |
| resolution range (Å) | 69.07-(3.16–3.00) | 19.89-(2.87–2.72) | 46.64-(2.48–2.35) |
| total no. of reflections | 749983 | 602683 | 544302 |
| no. unique reflections | 30067 | 42164 | 65572 |
| Rsym | 0.10 (0.58) | 0.13 (0.40) | 0.16 (0.94) |
| ⟨I/σ(I)⟩ | 8.3 (1.9) | 16.1 (7.5) | 11.6 (2.3) |
| completeness (%) | 83.2 (75.3) | 99.2 (96.6) | 100.0 (100.0) |
| redundancy | 3.6 (3.8) | 14.1 (11.4) | 8.3 (8.4) |
| Refinement Statistics | |||
| resolution (Å) | 48.74–3.00 | 19.89–2.72 | 46.64–2.35 |
| Rwork/Rfree | 0.23/0.30 | 0.21/0.29 | 0.18/0.23 |
| No. of Atoms | |||
| protein | 10273 | 10226 | 10217 |
| MUR | 34 | – | 34 |
| ion | 11 | 11 | 15 |
| solvent | 109 | 216 | 778 |
| Average B-Factor (Å2) | |||
| protein | 76.02 | 53.28 | 47.43 |
| solvent | 29.24 | 39.76 | 43.34 |
| RMSD | |||
| bond length (Å) | 0.01 | 0.01 | 0.01 |
| bond angles (°) | 1.20 | 1.17 | 1.15 |
| Ramachandran | |||
| favored/outliers (%) | 93.9/0.9 | 96.4/0.6 | 95.5/0.3 |
| PDB code | 4BL3 | 4BL2 | 4CPK |
a
Value for the highest resolution shell is shown in parentheses.