Table 2.
Date Collection and Refinement Statistics
Data collection | |
---|---|
Wavelength (Å) | 0.9791 |
Space group | C2 |
Unit-cell parameters (Å) | a = 199.550, b = 76.182, c = 103.681, β = 115.26° |
Resolution (Å) | 1.75 (1.78–1.75) |
Number of unique reflections | 139,777 (6874) |
Completeness (%) | 98.8 (97.4) |
Redundancy | 7.1 (6.3) |
Mean I/ o’ (I) | 36.9 (5.2) |
Molecules in asymmetric unit | 2 |
Rmerge (%) | 15.1 (58.4) |
Refinement | |
Resolution range (Å) | 45.12–1.75 |
Rwork/Rfree (%) | 18.4/21.6 |
No. of residues/protein atoms | 1241/9729 |
No. of water atoms | 1081 |
Average B factor | |
Main chain (A/B) | 17.20/17.27 |
Side chain (A/B) | 19.48/19.53 |
Waters | 25.77 |
Ramachandran plot (%) | |
Most favored | 96.6 |
Allowed | 3.4 |
R.m.s. deviations | |
Bond lengths (Å) | 0.007 |
Bond angles (°) | 1.076 |
Values in parentheses are for the highest resolution shell.