Table 1.
Data collection | |
---|---|
Wavelength (Å) | 0.97921 |
Data range (Å) | 40.15–1.46 |
Space group | C2 |
Unit Cell | a=58.20 Å, b=71.58 Å, c=58.45 Å, β=112.55° |
Unique reflections | 38596 (3766) |
Avg. multiplicity | 7.5 (7.1) |
Mosaicity | 0.21 |
Completeness (%) | 99.70 (97.97) |
CC1/2 | 0.98 (0.86) |
1 Rmeas | 0.11 (0.70) |
I/σI | 15.91 (2.99) |
Refinement | |
Model: | |
Chain A (number of residues) | 93 |
Chain B (number of residues) | 93 |
Water molecules | 255 |
Data Range (Å) | 40.15–1.46 |
2Rwork (%) | 17.2 |
2,3Rfree (%) | 20.8 |
Average B-values (Å2): | |
Main Chain | 22.8 |
Side Chain | 37.6 |
Water | 43.0 |
All Atoms | 32.3 |
RMSDs from target values: | |
Bond Lengths (Å) | 0.007 |
Bond Angles (°) | 0.71 |
Ramachandran outliers | 0 |
Values in parentheses pertain to the highest resolution shell.
Rmeas = Σhkl (n/n−1)1/2 Σh,i |Ihkl,i−<Ihkkl>|/ΣhklΣh,iIhkl,i.
R factor= Σh, |Fobs−|Fcalc|/Σh|Fobs|.
Test set for Rfree consisted of 5.0 % of data.