7GP1
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z401437758
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 | 2023-01-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.868, 62.332, 148.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.040 - 1.610 |
| R-factor | 0.19492 |
| Rwork | 0.193 |
| R-free | 0.22701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.455 |
| 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] | 74.037 | 1.726 |
| High resolution limit [Å] | 1.607 | 1.607 |
| Rmerge | 0.336 | 3.097 |
| Rmeas | 0.352 | 3.257 |
| Rpim | 0.105 | 0.994 |
| Total number of observations | 396754 | 18801 |
| Number of reflections | 37747 | 1887 |
| <I/σ(I)> | 5.6 | 1.4 |
| Completeness [%] | 71.8 | |
| Redundancy | 10.5 | 10 |
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 |
