13YP
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z19755216
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 | 2024-11-15 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92203 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.244, 83.072, 58.634 |
| Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
| Resolution | 55.580 - 1.570 |
| R-factor | 0.1848 |
| Rwork | 0.183 |
| R-free | 0.21050 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.643 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.570 | 55.570 | 1.600 |
| High resolution limit [Å] | 1.570 | 8.600 | 1.570 |
| Rmerge | 0.087 | 0.051 | 1.302 |
| Rmeas | 0.095 | 0.056 | 1.564 |
| Rpim | 0.038 | 0.023 | 0.837 |
| Total number of observations | 396144 | 2822 | 7466 |
| Number of reflections | 67541 | 458 | 2371 |
| <I/σ(I)> | 16.2 | 73.3 | 1.1 |
| Completeness [%] | 96.6 | 99.9 | 68.7 |
| Redundancy | 5.9 | 6.2 | 3.1 |
| CC(1/2) | 0.998 | 0.994 | 0.362 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M TRIS-HCl (pH 8.5), 16% PEG 3350, 16% Isopropanol |
