Table 2.
Crystallographic data
| Space group | P212121 |
| Cell constants: a, b, c (Å) | 97.0, 135.7, 141.7 |
| Wavelength (Å) | 0.9724 |
| No. of measurements/unique reflections | 419,491/52,035 |
| Resolution range (Å) (outermost shell) | 49.0–2.70 (2.85–2.70) |
| Completeness (%) | 99.9 (100.0) |
| Rmergea | 0.099 (0.590) |
| Rr.i.m. (= Rmeas)a/Rp.i.m.a | 0.106 (0.629)/0.037 (0.217) |
| Average intensity over SD (〈[〈I〉/σ(〈I〉)]〉) | 22.5 (4.6) |
| B-factor (Wilson) (Å2)/average multiplicity | 54.0/8.1 (8.2) |
| Resolution range used for refinement (Å) | 8–2.70 |
| No. of reflections in working set/in test set | 51,270/765 |
| Crystallographic R-factor (Rfree)a | 0.217 (0.283) |
| No. of protein atoms/solvent molecules/ions/ligands | 12,113/211/4 Zn2+/4 glycerol, 4 N-acetyl-glucosamine, 4 GEMSA |
| rmsd from target values | |
| Bonds (Å)/angles (°) | 0.006/1.028 |
| Bonded B-factors (Å2) | 8.49 |
| Average B-factors for protein atoms (Å2) | 55.2 |
| Main-chain conformational angle analysisb | |
| Residues in favored regions/outliers/all residues | 1460/4/1523 |