Table 1.
Data collection and refinement statistics.
| (A) Data collection statistics | |
| Resolution (Å) | 17.4– 1.96 |
| Wavelength (Å) | 1.54 |
| Space Group | P21 |
| Cell (Å, °) | a = 32.0, b = 82.5, c = 32.7 α = 90.0°, β = 91.5°, γ = 90.0° |
| Completeness (%) a | 94.1 (85.1) |
| Redundancy a | 2.8 (2.5) |
| <I/σ(I)> a | 19.5 (4.7) |
| Rmerge (%) a | 2.7 (25.5) |
| (B) Refinement statistics | |
| Resolution range (Å) | 17.4-1.96 |
| R (%) | 19.08 |
| Rfree (%) | 23.32 |
| rms bonds (Å) | 0.008 |
| rms angles (°) | 1.096 |
| Number of protein atoms | 1428 (186 AA residues) |
| Number of water molecules | 120 |
| Average B factors | |
| Protein | 35.7 |
| Solvent | 39.4 |
| Wilson B factor | 30.4 |
| Ramachandran analysis (%) | |
| Most favored | 97.65 |
| Allowed | 2.35 |
a
Values in parentheses are for the highest resolution shell