13XX
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1270393711
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 | 2024-11-14 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92204 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.523, 83.909, 58.981 |
| Unit cell angles | 90.00, 108.21, 90.00 |
Refinement procedure
| Resolution | 46.640 - 1.480 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.23560 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.564 |
| 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] | 46.590 | 46.590 | 1.500 |
| High resolution limit [Å] | 1.480 | 8.100 | 1.480 |
| Rmerge | 0.077 | 0.065 | 1.994 |
| Rmeas | 0.084 | 0.071 | 2.462 |
| Rpim | 0.033 | 0.029 | 1.416 |
| Total number of observations | 423796 | 3522 | 4218 |
| Number of reflections | 72937 | 556 | 1558 |
| <I/σ(I)> | 13.2 | 51.2 | 0.3 |
| Completeness [%] | 85.3 | 99.7 | 37.1 |
| Redundancy | 5.8 | 6.3 | 2.7 |
| CC(1/2) | 0.993 | 0.963 | 0.343 |
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 |
