| Data collection . | PkKKT2a551–679 . | |
|---|---|---|
| Beamline . | Diamond I24 . | Diamond I03 . |
| Wavelength (Å) | 0.96861 | 1.28272 |
| Space group (Z) | P64 (6) | P64 (6) |
| Unit cell (cell edges in Å, cell angles in degrees) | 113.84, 113.84, 46.01, 90, 90, 120 | 114.33, 114.33, 46.32 90, 90, 120 |
| Resolution range (Å) | 56.92–2.87 (2.92–2.87) | 99.01–3.80 (3.86–3.80) |
| Total no. of reflections | 153,076 (6844) | 68,026 (3882) |
| No. of unique reflections | 7,986 (357) | 3,535 (189) |
| Completeness (%) | 99.73 (91.77) | 100.00 (100.00) |
| Rmerge | 0.10 (1.04) | 0.31 (6.13) |
| Rpim | 0.024 (0.240) | 0.073 (1.38) |
| CC1/2 | 0.99 (0.45) | 0.99 (0.4) |
| [I/σ(I)] | 16.45 (2.14) | 12 (1.7) |
| Multiplicity | 19.17 (19.17) | 19.2 (20.5) |
| Anomalous completeness (%) | 99.6 (91.2) | 100 (100) |
| Anomalous multiplicity | 10 (9.9) | 10.2 (10.6) |
| Overall B factor from Wilson plot (Å2) | 105.95 | 136.7 |
| Refinement | ||
| Resolution (Å) | 49–2.87 (3–2.87) | |
| No. of reflections working set | 7,408 (417) | |
| No. of reflections test set | 377 (16) | |
| Final Rwork (%) | 25.2 (36.6) | |
| Final Rfree (%) | 27.5 (51.2) | |
| No. of protein atoms | 832 | |
| No. of Zn atoms | 2 | |
| Average B factor (Å2) protein atoms | 113.4 | |
| Average B factor (Å2) Zn atoms | 100.6 | |
| RMSD bond lengths (Å) | 0.009 | |
| RMSD bond angles (°) | 1.11 | |
| Ramachandran plot | ||
| Most favored (%) | 90.9 | |
| Allowed (%) | 9.1 | |
| Disallowed | 0 | |
| Data collection . | PkKKT2a551–679 . | |
|---|---|---|
| Beamline . | Diamond I24 . | Diamond I03 . |
| Wavelength (Å) | 0.96861 | 1.28272 |
| Space group (Z) | P64 (6) | P64 (6) |
| Unit cell (cell edges in Å, cell angles in degrees) | 113.84, 113.84, 46.01, 90, 90, 120 | 114.33, 114.33, 46.32 90, 90, 120 |
| Resolution range (Å) | 56.92–2.87 (2.92–2.87) | 99.01–3.80 (3.86–3.80) |
| Total no. of reflections | 153,076 (6844) | 68,026 (3882) |
| No. of unique reflections | 7,986 (357) | 3,535 (189) |
| Completeness (%) | 99.73 (91.77) | 100.00 (100.00) |
| Rmerge | 0.10 (1.04) | 0.31 (6.13) |
| Rpim | 0.024 (0.240) | 0.073 (1.38) |
| CC1/2 | 0.99 (0.45) | 0.99 (0.4) |
| [I/σ(I)] | 16.45 (2.14) | 12 (1.7) |
| Multiplicity | 19.17 (19.17) | 19.2 (20.5) |
| Anomalous completeness (%) | 99.6 (91.2) | 100 (100) |
| Anomalous multiplicity | 10 (9.9) | 10.2 (10.6) |
| Overall B factor from Wilson plot (Å2) | 105.95 | 136.7 |
| Refinement | ||
| Resolution (Å) | 49–2.87 (3–2.87) | |
| No. of reflections working set | 7,408 (417) | |
| No. of reflections test set | 377 (16) | |
| Final Rwork (%) | 25.2 (36.6) | |
| Final Rfree (%) | 27.5 (51.2) | |
| No. of protein atoms | 832 | |
| No. of Zn atoms | 2 | |
| Average B factor (Å2) protein atoms | 113.4 | |
| Average B factor (Å2) Zn atoms | 100.6 | |
| RMSD bond lengths (Å) | 0.009 | |
| RMSD bond angles (°) | 1.11 | |
| Ramachandran plot | ||
| Most favored (%) | 90.9 | |
| Allowed (%) | 9.1 | |
| Disallowed | 0 | |
Parentheses indicate the values relative to the highest-resolution shell.