13YU
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z239127550
This is a non-PDB format compatible entry.
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 | 55.392, 83.351, 58.899 |
| Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
| Resolution | 46.460 - 1.460 |
| R-factor | 0.1898 |
| Rwork | 0.188 |
| R-free | 0.21680 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.665 |
| 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] | 46.410 | 46.410 | 1.480 |
| High resolution limit [Å] | 1.460 | 8.000 | 1.460 |
| Rmerge | 0.071 | 0.042 | 0.972 |
| Rmeas | 0.078 | 0.046 | 1.338 |
| Rpim | 0.031 | 0.019 | 0.912 |
| Total number of observations | 422509 | 3605 | 3560 |
| Number of reflections | 78816 | 569 | 1874 |
| <I/σ(I)> | 16.3 | 77 | 0.6 |
| Completeness [%] | 89.7 | 99.7 | 43.6 |
| Redundancy | 5.4 | 6.3 | 1.9 |
| CC(1/2) | 0.998 | 0.992 | 0.356 |
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 |
