Table 1.
Crystallographic Data Collection and Refinement Statistics
Snf7core |
||
|---|---|---|
| Conformation A | Conformation B | |
| Wavelength (Å) | 0.978 | 0.978 |
| Resolution range (Å) | 50 - 2.4 (2.49 - 2.40) | 50 - 1.6 (1.6 - 1.55) |
| Space group | P21 | P21 |
| Unit cell | a = 29.5Å b = 52.2Å c = 54.5Å α = 90°β = 97.5°γ = 90° | a = 29.9Å b = 46.2Å c = 44.6Å α = 90°β = 98.5°γ = 90° |
| Total reflections | 23263 (1946) | 73723 (6034) |
| Unique reflections | 6376 (612) | 16849 (1581) |
| Multiplicity | 3.6 (3.2) | 4.4 (3.8) |
| Completeness (%) | 97.99 (93.72) | 95.77 (90.65) |
| Mean I/sigma(I) | 8.04 (2.91) | 8.85 (1.35) |
| Wilson B-factor | 54.03 | 25.39 |
| Rmerge | 0.0884 (0.249) | 0.0782 (0.997) |
| CC1/2 | 0.988 (0.968) | 0.995 (0.590) |
| CC* | 0.997 (0.992) | 0.999 (0.861) |
| Rwork | 0.259 (0.398) | 0.210 (0.330) |
| Rfree | 0.262 (0.533) | 0.225 (0.356) |
| Number of non-hydrogen atoms | 982 | 1097 |
| macromolecules | 975 | 992 |
| water | 7 | 105 |
| Protein residues | 123 | 125 |
| RMS(bonds) (Å) | 0.015 | 0.006 |
| RMS(angles) (o) | 1.24 | 0.81 |
| Ramachandran favored (%) | 95 | 99 |
| Ramachandran outliers (%) | 1.7 | 0 |
| Clashscore | 21.56 | 9.9 |
| Average B-factor | 91.1 | 39.7 |
| macromolecules | 91.2 | 38.9 |
| solvent | 69.2 | 47.2 |