Table 1.
Data collection and refinement statistics.
| C22Y mutant protein | C81R mutant protein | |
|---|---|---|
| (A) Data collection statistics | ||
| Resolution (Å) a | 20.9–2.7 (2.8–2.7) | 21.5–3.0 (3.1–3.0) |
| Wavelength (Å) | 1.54 | 1.00 |
| Space Group | P212121 | P213 |
| Cell (Å) | a = 85.9, b = 90.6, c = 140.6 | a=b=c=121.8 |
| Completeness (%) a | 100 (100) | 100 (100) |
| Redundancy a | 7.1 (7.2) | 19.9 (20.2) |
| <I/σ(I)> a | 7.0 (2.0) | 9.1 (2.0) |
| Rmerge (%) a | 13.3 (65.9) | 14.2 (77.3) |
| (B) Refinement statistics | ||
| Resolution range (Å) | 19.9–2.7 | 20.5–3.0 |
| R (%) | 20.5 | 19.8 |
| Rfree (%) | 28.7 | 25.4 |
| rms bonds (Å) | 0.017 | 0.013 |
| rms angles (°) | 1.78 | 1.57 |
| Number of protein atoms | 6026 (761 residues) | 1975 (254 residues) |
| Number of water molecules | 0 | 0 |
| Ramachandran analysis (%) | ||
| Most favored | 92.5 | 92.0 |
| Allowed | 6.3 | 8.0 |
| PDB ID code | 4L6P | 4L60 |
a
Values in parentheses are for the highest resolution shell