TABLE 1.
Data collection | |
Space group | P21 |
Cell constants (Å) | a = 71.3, b = 51.9, c = 79.1 |
β = 90.7 | |
Resolution (Å) | 79.1–2.67 |
Rsym(%)a | 7.5 (48.0)b |
Rpim (%) | 5.0 (40.9) |
Overall I/σ(I) | 10.7 (1.6) |
No. of unique reflections | 15,706 |
No. of total reflections | 47,044 |
% complete | 94.1 (73.1) |
CC(1/2) | 0.997 (0.716) |
Refinement statistics | |
Rwork/Rfree(%)c | 23.0/26.5 |
MolProbity score | 2.11 |
B-Factors (average) (Å2) | |
ZapD | 48.4 |
CTD peptide | 80.0/69.2d |
Solvent | 38.0 |
r.m.s.d. | |
Bond angles (°) | 0.445 |
Bond lengths (Å) | 0.002 |
Ramachandran analysis | |
Favored (%) | 94.6 |
Disallowed (%) | 0.0 |
aRsym = ΣΣ|Ihkl − Ihkl(j)|/ΣIhkl, where Ihkl(j) is observed intensity and Ihkl is the final average value of intensity.
bValues in parentheses are for the highest resolution shell.
cRwork = Σ‖Fobs| − |Fcalc‖/Σ|Fobs| and Rfree = Σ‖Fobs| − |Fcalc‖/Σ|Fobs|, where all reflections belong to a test set of 5% randomly selected data.
dB-factor (average) for all CTD residues/B-factor (average) for CTD residues minus disordered side chains of residues 270, 381.