13ZD
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z30620520
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) | 0.92201 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.272, 83.478, 58.632 |
| Unit cell angles | 90.00, 108.34, 90.00 |
Refinement procedure
| Resolution | 46.350 - 1.590 |
| R-factor | 0.1894 |
| Rwork | 0.188 |
| R-free | 0.22250 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.603 |
| 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] | 46.290 | 46.290 | 1.620 |
| High resolution limit [Å] | 1.590 | 8.710 | 1.590 |
| Rmerge | 0.094 | 0.054 | 1.620 |
| Rmeas | 0.103 | 0.059 | 1.956 |
| Rpim | 0.041 | 0.025 | 1.061 |
| Total number of observations | 393718 | 2708 | 8144 |
| Number of reflections | 66230 | 444 | 2473 |
| <I/σ(I)> | 12.5 | 65 | 0.5 |
| Completeness [%] | 97.7 | 99.6 | 74.4 |
| Redundancy | 5.9 | 6.1 | 3.3 |
| CC(1/2) | 0.998 | 0.996 | 0.280 |
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 |
