13XN
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1201620232
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 | 55.444, 83.816, 58.855 |
| Unit cell angles | 90.00, 108.32, 90.00 |
Refinement procedure
| Resolution | 46.530 - 1.450 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.21740 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.653 |
| 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] | 46.490 | 46.490 | 1.480 |
| High resolution limit [Å] | 1.450 | 7.950 | 1.450 |
| Rmerge | 0.058 | 0.046 | 1.257 |
| Rmeas | 0.063 | 0.051 | 1.739 |
| Rpim | 0.025 | 0.021 | 1.195 |
| Total number of observations | 424630 | 3743 | 3112 |
| Number of reflections | 80258 | 588 | 1739 |
| <I/σ(I)> | 18.3 | 87.5 | 0.5 |
| Completeness [%] | 89.0 | 99.7 | 39.6 |
| Redundancy | 5.3 | 6.4 | 1.8 |
| CC(1/2) | 0.997 | 0.970 | 0.365 |
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 |
