Crystal diffraction data and refinement statistics
| Data collection . | . |
|---|---|
| Wavelength (Å) | 1.28237 |
| Resolution range (Å) | 47-3.28 (3.37-3.28)* |
| Space group | P4332 |
| Unit cell | a=b=c=135.34 Å, α=β=γ=90° |
| Solvent content (%) | 88 |
| Total unique reflections† | 12294 |
| Redundancy‡ | 13.7 (10.7) |
| Completeness (%) | 99.99 (99.85) |
| I/ σ(I) | 10.87 (0.43) |
| Rsym‡ | 0.228 (6.097) |
| CC1/2 (%)§ | 99.8 (12.0) |
| Phasing and refinement | |
| Phasing figure of merit | 0.245 |
| Rwork / Rfree|| | 0.224 / 0.248 |
| Monomer / asymmetric unit | 1 |
| Nonhydrogen atoms | |
| Protein/ N-acetyl glucosamine /Zn/SO4/water | 721/14/0.5/25/6 |
| RMSD bonds (Å) | 0.003 |
| RMSD angles (°) | 0.46 |
| Ramachandran plot¶ | |
| (% favored/allowed/outliers) | 94.6/5.4/0.0 |
| Geometry and clash percentiles¶ | 100% / 100% |
| Protein data bank ID | 4NT5 |
| Data collection . | . |
|---|---|
| Wavelength (Å) | 1.28237 |
| Resolution range (Å) | 47-3.28 (3.37-3.28)* |
| Space group | P4332 |
| Unit cell | a=b=c=135.34 Å, α=β=γ=90° |
| Solvent content (%) | 88 |
| Total unique reflections† | 12294 |
| Redundancy‡ | 13.7 (10.7) |
| Completeness (%) | 99.99 (99.85) |
| I/ σ(I) | 10.87 (0.43) |
| Rsym‡ | 0.228 (6.097) |
| CC1/2 (%)§ | 99.8 (12.0) |
| Phasing and refinement | |
| Phasing figure of merit | 0.245 |
| Rwork / Rfree|| | 0.224 / 0.248 |
| Monomer / asymmetric unit | 1 |
| Nonhydrogen atoms | |
| Protein/ N-acetyl glucosamine /Zn/SO4/water | 721/14/0.5/25/6 |
| RMSD bonds (Å) | 0.003 |
| RMSD angles (°) | 0.46 |
| Ramachandran plot¶ | |
| (% favored/allowed/outliers) | 94.6/5.4/0.0 |
| Geometry and clash percentiles¶ | 100% / 100% |
| Protein data bank ID | 4NT5 |
Statistics for the highest-resolution shell are shown in parentheses.
Friedel pairs are treated as separate reflections.
Rsym = ΣhklΣi|Ii−<I>|/ΣhklΣiIi, where Ii and <I> are the ith and mean measurement of the intensity of reflection hkl.
Pearson’s correlation coefficient between average intensities of random half-data sets of the measurements for each unique reflection.38
Rwork = Σhkl||Fobs|−|Fcalc||/|Fobs|, where Fobs and Fcalc are the observed and calculated structure factors, respectively. Rfree is the crossvalidation R factor computed for the 8% (929) test set of unique reflections.
Ramachandran, geometry, and clash values were reported by MOLPROBITY.25