13YF
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1563512128
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 | 55.312, 83.067, 58.594 |
| Unit cell angles | 90.00, 108.63, 90.00 |
Refinement procedure
| Resolution | 41.570 - 1.450 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20660 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.720 |
| 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] | 41.520 | 41.520 | 1.470 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.061 | 0.053 | 0.942 |
| Rmeas | 0.067 | 0.058 | 1.297 |
| Rpim | 0.027 | 0.024 | 0.887 |
| Total number of observations | 419834 | 3655 | 3144 |
| Number of reflections | 79078 | 573 | 1771 |
| <I/σ(I)> | 17.1 | 79.5 | 0.5 |
| Completeness [%] | 89.1 | 99.3 | 40.9 |
| Redundancy | 5.3 | 6.4 | 1.8 |
| CC(1/2) | 0.996 | 0.955 | 0.401 |
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 |
