Table 1.
Data collection statistics | |
Space group | P6322 |
Cell parameters, Å | a = b = 172.02, c = 276.57 |
Resolution range, Å | 25-2.8 |
Unique/total reflections | 59,863/706,383 |
Redundancy | 11.8 |
Completeness, %* | 99.8 (99.8) |
Rmerge† (%) | 12.0 |
Refinement and model statistics | |
R factor/Rfree‡ | 0.254/0.304 |
Resolution range, Å | 15-2.8 |
Modeled residues | HslV; (1–174) × 4 |
HslU; (1–139, 151–165, 218–443), (1–129, 221–443) | |
Number of ligands | 2 (AMP-PNP) |
Number of solvent molecules | 293 |
Rmsd bond lengths, Å | 0.014 |
Rmsd bond angles, ° | 1.65 |
Rmsd NCS protein, Å | HslV (172 matching Cα); 0.26 (free), 0.24 (complexed) |
HslU (333 matching Cα); 0.27 |
Rmsd, root-mean-square deviation.
Values are for the reflections in the highest resolution shell (2.8–2.87 Å).
Rmerge = ΣhΣi|I(h, i) − 〈I(h)〉|/ΣhΣiI(h, i), where I(h, i) is the intensity of the ith measurement of reflection h, and 〈I(h)〉 is the average value over multiple measurements.
R = Σ∥Fo| − |Fc∥/Σ|Fo|, where Rfree is calculated for the 10% test set of reflections.