7GPA
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z56978034
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.809, 62.789, 147.786 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.790 - 1.250 |
| R-factor | 0.18763 |
| Rwork | 0.187 |
| R-free | 0.19791 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.851 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.760 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.065 | 1.469 |
| Rmeas | 0.068 | 1.699 |
| Rpim | 0.019 | 0.835 |
| Total number of observations | 1100350 | 10809 |
| Number of reflections | 101816 | 2806 |
| <I/σ(I)> | 14.3 | 0.3 |
| Completeness [%] | 91.9 | |
| Redundancy | 10.8 | 3.9 |
| CC(1/2) | 0.999 | 0.328 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.14 | 298 | 25% PEG 3350, 0.1M Tris, 0.2M Ammonium acetate |
