Table 1.
Spd1 and Asn145Ala mutant crystallographic data collection and refinement statistics. Values in parentheses are for the outer shell
| Native | SeMet | Asn145Ala | |
|---|---|---|---|
| Data processing | |||
| Space group | P3221 | P3221 | P212121 |
| Unit cell dimensions (Å) | a = 76.4, b = 76.4, c = 80.4 | a = 77.1, b = 77.1, c = 80.9 | a = 49.8, b = 101.8, c = 113.5 |
| Unit cell angles (°) | α = β = 90, γ = 120 | α = β = 90, γ = 120 | α = β = γ = 90 |
| Molecules in AU | 1 | 2 | |
| Wavelength | 0.93400 | 0.97640 | 1.54179 |
| Resolution range (outer shell) | 51.10–1.70 (1.79–1.70) | 66.81–1.88 (1.95–1.88) | 50.92–2.48 (2.61–2.48) |
| Rmerge | 0.090 (0.461) | 0.076 (0.34) | 0.056 (0.300) |
| <I/σI> | 19.8 (5.3) | 37.9 (6.9) | 17.5 (4.5) |
| Completeness | 100 (100) | 99.9 (98.6) | 90.3 (82.5) |
| Redundancy | 10.7 (10.8) | 17.4 (14.0) | 3.9 (3.6) |
| Refinement statistics | |||
| Resolution range (Å) | 38.21–1.70 (1.74–1.70) | 50.92–2.48 (2.55–2.48) | |
| Rcryst | 0.168 | 0.166 | |
| Rfree | 0.208 | 0.244 | |
| No. protein atoms | 1668 | 2993 | |
| RMSD bonds (Å) | 0.018 | 0.019 | |
| RMSD angles (°) | 1.782 | 1.831 | |
| Mean B-value protein atoms (Å2) | 14 | 37 | |
| Mean B-value solvent atoms (Å2) | 29 | 39 | |
| ESU (Å2) | 1.686 | 6.637 | |
| Ramachandran statistics | |||
| Preferred regions (%) | 98.86 | 93.12 | |
| Allowed regions (%) | 1.14 | 5.44 | |
| Outliers (%) | 0 | 1.43 | |
| PDB code | 2XGR | 2XH3 |