Table 1.
Data Collection and Refinement Statistics for LMO Structures*
| WT | C203A | |
|---|---|---|
| Data statistics | ||
| Space group | P4212 | P4212 |
| Unit cell a, b, c axes (Å) | 148.4, 148.4, 272.6 | 149.6, 149.6, 274.3 |
| Resolution (Å) | 77.49–2.30 (2.38–2.30) | 30.90–1.70 (1.74–1.70) |
| Unique reflections | 123105 | 33380 (24764) |
| Multiplicity | 3.1 | 26.7 (27.5) |
| Average I/σ | 10.4 (2.6) | 15.5 (0.6) |
| R meas (%) | 10.2 (42) | 18.2 (690) |
| Completeness (%) | 91.0 (79.6) | 99.9 (100) |
| CC1/2 | n.d.† | 99.9 (22.7) |
| Refinement statistics | ||
| Amino acid residues | 2306 | 2363 |
| Solvent atoms | 1252 | 1464 |
| Non‐H atoms | 19112 | 20104 |
| RMS bonds (Å) | 0.015 | 0.014 |
| RMS angles (°) | 1.6 | 1.4 |
| ϕ, ψ favored (%) ‡ | 93.1 | 96.4 |
| ϕ, ψ outliers (%) ‡ | 1.0 | 0.6 |
| <B protein > (Å2) | 68 | 70 |
| <B solvent > (Å2) | 45 | 52 |
| R work (%) | 21.8 | 16.9 |
| R free (%) | 27.2 | 19.4 |
| PDB code | 6DVI | 6DVH |