7GQ7
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z45636695
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 | 2023-01-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.828, 62.607, 147.408 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.160 - 1.280 |
| R-factor | 0.18728 |
| Rwork | 0.187 |
| R-free | 0.19765 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.828 |
| 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] | 42.830 | 1.300 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.074 | 1.269 |
| Rmeas | 0.077 | 1.508 |
| Rpim | 0.022 | 0.793 |
| Total number of observations | 1079843 | 14436 |
| Number of reflections | 101436 | 4182 |
| <I/σ(I)> | 11.4 | 0.2 |
| Completeness [%] | 98.4 | |
| Redundancy | 10.6 | 3.5 |
| CC(1/2) | 0.999 | 0.308 |
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 |
