Table 1.
Data collection and refinement statistics
Data collection | ||
Crystal | Native | Se |
Space group | C2 | C2 |
Unit cell dimensions | a = 122.59 Å, b = 56.56 Å, c = 175.31 Å, β = 95.63° | a = 122.18 Å, b = 56.49 Å, c = 174.85 Å, β = 95.95° |
Wavelength (Å) | 0.9795 | 0.9795 |
Resolution (Å) | 25.0−2.1(2.18−2.10) | 25.0−2.5(2.59−2.50) |
Rsym(%) | 5.3 (32.4) | 8.6 (45.1) |
I/σ | 24.1 (3.6) | 38.3 (9.2) |
Completeness (%) | 94.0 (99.3) | 100.0 (100.0) |
Redundancy | 3.3 (3.1) | 14.9 (14.6) |
Refinement | ||
Resolution (Å) | 25.0−2.1 | |
No. unique reflections | 59538 | |
Rwork/Rfree (%) | 22.63/26.91 | |
No. of protein atoms | 8241 | |
No. of waters | 186 | |
Average B (Å2) | 52.88 | |
Average B (protein) | 52.99 | |
Average B (water) | 48.06 | |
rmsd | ||
Bond lengths (Å) | 0.019 | |
Bond angles (°) | 1.62 | |
Ramachandran plot | ||
Allowed (% residues) | 97.3 | |
Generously allowed (% residues) | 2.7 | |
Disallowed (% residues) | 0 |
Numbers in parentheses denote values in highest resolution bin.