13YM
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z19727416
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 | 55.586, 83.808, 58.937 |
| Unit cell angles | 90.00, 108.51, 90.00 |
Refinement procedure
| Resolution | 55.890 - 1.340 |
| R-factor | 0.1838 |
| Rwork | 0.183 |
| R-free | 0.20490 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.828 |
| 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] | 83.810 | 83.810 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.340 | 1.340 |
| Rmerge | 0.035 | 0.043 | |
| Rmeas | 0.038 | 0.048 | |
| Rpim | 0.015 | 0.020 | |
| Total number of observations | 433477 | 4674 | 255 |
| Number of reflections | 84396 | 739 | 255 |
| <I/σ(I)> | 31.2 | 101.2 | 0.8 |
| Completeness [%] | 73.6 | 99.9 | 4.5 |
| Redundancy | 5.1 | 6.3 | 1 |
| CC(1/2) | 0.999 | 0.991 |
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 |
