Table 1.
7.9 Å Native data (high resolution shell) |
9 Å Native data (high resolution shell) |
|
---|---|---|
Data collection | ||
Space group | I4122 | P42212 |
Cell dimensions (Å) | a=b=228.5 c=710.3 | a=b=229.7 c=512.2 |
Wavelength (Å) | 1.1 | 1.1 |
Resolution (Å) | 250–7.94 (8.55–7.94) | 500–9 (9.23–9.00) |
Rsym (%) | 7.5 (88.2) | 17.7 (60.5) |
I/σI | 4.7 (2.8) | 5.3 (1.5) |
Completeness (%) | 99 (97.2) | 78.7 (78.1) |
Redundancy | 9.0 (9.7) | 3.1 (3.2) |
Total # Obs. Unique | 10,700 (2,079) | 8,530 (838) |
Reflections | ||
Refinement | Rigid Body Simulated Annealing |
Standard Rigid Body |
Resolution (Å) | 100–7.9 | 500–9 |
# of Reflections used in refinement |
10,208 (test set 566) |
8,097 (test set 431) |
Rwork | 0.42 | 0.48 |
Rfree (5%) | 0.42 | 0.47 |
Average B factor (Å2) | 295.203 | 131.8 |